UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-(p-tolyl)-1H-indol-3-yl]ethanamine 2-[5-(p-tolyl)-1H-indol-3-yl]eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 7.45 -48.72 4 2 1 43 251.353 3 ↓

Analogs

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Popular Name: 2-[5-(4-fluorophenyl)-1H-indol-3-yl]ethanamine 2-[5-(4-fluorophenyl)-1H-indol-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 6.84 -50.32 4 2 1 43 255.316 3 ↓

Analogs

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Popular Name: 2-[5-(4-methoxyphenyl)-1H-indol-3-yl]ethanamine 2-[5-(4-methoxyphenyl)-1H-indol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 6.07 -49.78 4 3 1 53 267.352 4 ↓

Analogs

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Popular Name: 2-[1-octyl-5-(o-tolyl)indol-3-yl]acetamide 2-[1-octyl-5-(o-tolyl)indol-3-yl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.30 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.30 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.70 13.39 -12.5 2 3 0 48 376.544 10 ↓

Analogs

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Popular Name: 2-[5-(3-methoxyphenyl)-1-octyl-indol-3-yl]acetamide 2-[5-(3-methoxyphenyl)-1-octyl-i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1900 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.33 12.04 -14.38 2 4 0 57 392.543 11 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.85 17.36 -10.62 0 3 0 31 391.555 11 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.21 18.29 -10.45 0 3 0 31 405.582 12 ↓

Analogs

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Popular Name: 5-(m-tolyl)-1-octyl-indole-3-carboxamide 5-(m-tolyl)-1-octyl-indole-3-car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.63 12.62 -16.43 2 3 0 48 362.517 9 ↓

Analogs

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Popular Name: N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]-N-propyl-propan-1-amine N-[[5-(m-tolyl)-1-octyl-indol-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 800 0.27 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 800 0.27 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.86 20.7 -37.7 1 2 1 9 433.704 14 ↓
Hi High (pH 8-9.5) 8.86 18.33 -5.13 0 2 0 8 432.696 14 ↓

Analogs

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Popular Name: N-methyl-N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]propan-2-amine N-methyl-N-[[5-(m-tolyl)-1-octyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.28 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 5300 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 900 0.28 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 900 0.28 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 5300 0.25 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.25 18.8 -36.17 1 2 1 9 405.65 11 ↓
Hi High (pH 8-9.5) 8.25 16.54 -5.57 0 2 0 8 404.642 11 ↓

Analogs

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Popular Name: N-isopropyl-N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]propan-2-amine N-isopropyl-N-[[5-(m-tolyl)-1-oc…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1700 0.25 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.67 19.84 -35.47 1 2 1 9 433.704 12 ↓
Hi High (pH 8-9.5) 8.67 17.85 -5.38 0 2 0 8 432.696 12 ↓

Analogs

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Popular Name: 2-(1-octyl-5-phenyl-indol-3-yl)acetamide 2-(1-octyl-5-phenyl-indol-3-yl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1800 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1800 0.30 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.30 12.74 -13.14 2 3 0 48 362.517 10 ↓

Analogs

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Popular Name: 2-[1-(3-methylbut-2-enyl)-5-(m-tolyl)indol-3-yl]acetamide 2-[1-(3-methylbut-2-enyl)-5-(m-t…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 7700 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 7700 0.29 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.94 10.7 -13.44 2 3 0 48 332.447 5 ↓

Analogs

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Popular Name: 2-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(m-tolyl)indol-3-yl]acetamide 2-[1-[(2E)-3,7-dimethylocta-2,6-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.28 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.78 14.21 -13.42 2 3 0 48 400.566 8 ↓

Analogs

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Popular Name: N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]acetamide N-[[5-(m-tolyl)-1-octyl-indol-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1800 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1800 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.73 14.94 -10.69 1 3 0 34 390.571 10 ↓

Analogs

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Popular Name: N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]methanesulfonamide N-[[5-(m-tolyl)-1-octyl-indol-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1200 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.74 12.73 -13.67 1 4 0 51 426.626 11 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(3-methoxyphenyl)-1-octyl-indol-3-yl]acetamide N,N-diethyl-2-[5-(3-methoxypheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 800 0.26 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 800 0.26 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.70 17.4 -13.88 0 4 0 34 448.651 13 ↓

Analogs

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Popular Name: 2-[5-(3-ethoxyphenyl)-1-octyl-indol-3-yl]-N,N-diethyl-acetamide 2-[5-(3-ethoxyphenyl)-1-octyl-in…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.25 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1000 0.25 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.07 18.32 -13.67 0 4 0 34 462.678 14 ↓

Analogs

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Popular Name: N-ethyl-N-[[1-octyl-5-(o-tolyl)indol-3-yl]methyl]ethanamine N-ethyl-N-[[1-octyl-5-(o-tolyl)i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.29 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 5500 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 600 0.29 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 600 0.29 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 5500 0.25 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.29 19.22 -35.22 1 2 1 9 405.65 12 ↓
Hi High (pH 8-9.5) 8.29 16.81 -4.99 0 2 0 8 404.642 12 ↓

Analogs

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Popular Name: N-ethyl-N-[[1-octyl-5-(p-tolyl)indol-3-yl]methyl]ethanamine N-ethyl-N-[[1-octyl-5-(p-tolyl)i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.29 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 3400 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 600 0.29 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 600 0.29 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 3400 0.26 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.33 19.24 -36.49 1 2 1 9 405.65 12 ↓
Hi High (pH 8-9.5) 8.33 16.83 -5.4 0 2 0 8 404.642 12 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-5-(m-tolyl)indole 1-(3-methylbut-2-enyl)-5-(m-toly…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.10 13.21 -6.43 0 1 0 5 275.395 3 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(m-tolyl)-1-octyl-indol-3-yl]acetamide N,N-diethyl-2-[5-(m-tolyl)-1-oct…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1400 0.26 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.09 18.76 -12.75 0 3 0 25 432.652 12 ↓

Analogs

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Popular Name: 5-(m-tolyl)-1-octyl-indole 5-(m-tolyl)-1-octyl-indole

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.88 15.91 -6.12 0 1 0 5 319.492 8 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[5-(m-tolyl)-1-octyl-indol-3-yl]acetamide N,N-dimethyl-2-[5-(m-tolyl)-1-oc…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 1500 0.27 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.90 16.84 -13.39 0 3 0 25 404.598 10 ↓

Analogs

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Popular Name: N-ethyl-N-[[1-(3-methylbut-2-enyl)-5-(m-tolyl)indol-3-yl]methyl]ethanamine N-ethyl-N-[[1-(3-methylbut-2-eny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.29 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 3800 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 2400 0.29 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 3800 0.28 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.58 16.51 -37.09 1 2 1 9 361.553 7 ↓
Hi High (pH 8-9.5) 6.58 14.4 -5.93 0 2 0 8 360.545 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[5-(m-tolyl)-1-octyl-indol-3-yl]methyl]ethanamine N-ethyl-N-[[5-(m-tolyl)-1-octyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.29 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 3600 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 700 0.29 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 700 0.29 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 3600 0.25 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.31 19.23 -36.61 1 2 1 9 405.65 12 ↓
Hi High (pH 8-9.5) 8.31 16.82 -5.35 0 2 0 8 404.642 12 ↓

Analogs

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Popular Name: [3-methyl-5-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]methanol [3-methyl-5-(3,4,5-trimethoxyphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 5.12 -12.26 2 5 0 64 327.38 5 ↓

Parameters Provided:

ring.id = 32899
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 32899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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