UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4799694
4799694
4799692
4799692

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Popular Name: (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]propanamide (2R)-2-(2,4-dichlorophenoxy)-N-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 230 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) 5.82 10.52 -38.98 2 6 1 59 488.439 6 ↓
Mid Mid (pH 6-8) 5.82 12.56 -50.49 2 6 1 59 488.439 6 ↓
Mid Mid (pH 6-8) 5.82 10.26 -21.31 1 6 0 58 487.431 6 ↓

Analogs

4799694
4799694
4799692
4799692

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Popular Name: (2S)-2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]propanamide (2S)-2-(2,4-dichlorophenoxy)-N-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 230 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) 5.82 10.54 -39.17 2 6 1 59 488.439 6 ↓
Mid Mid (pH 6-8) 5.82 12.58 -51.14 2 6 1 59 488.439 6 ↓
Mid Mid (pH 6-8) 5.82 10.27 -21.17 1 6 0 58 487.431 6 ↓

Analogs

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Popular Name: BRD-K32706301-001-01-3 BRD-K32706301-001-01-3

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 30 0.34 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) 4.85 9.38 -37.62 2 6 1 59 439.967 6 ↓
Mid Mid (pH 6-8) 4.85 11.43 -49.78 2 6 1 59 439.967 6 ↓
Mid Mid (pH 6-8) 4.85 9.12 -19.75 1 6 0 58 438.959 6 ↓

Analogs

4799653
4799653

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Popular Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(4-methoxyphenyl)-propanamide N-[2-(4-ethylpiperazin-1-yl)-4-m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 730 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) 4.87 -1.36 -96.08 3 6 2 60 434.584 7 ↓

Analogs

4572081
4572081

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Popular Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-2-(3-methylphenoxy)acetamide N-[2-(4-ethylpiperazin-1-yl)-4-m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6600 0.23 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) 4.59 9.53 -37.12 2 6 1 59 419.549 6 ↓
Mid Mid (pH 6-8) 4.59 11.58 -49.79 2 6 1 59 419.549 6 ↓
Mid Mid (pH 6-8) 4.59 9.27 -20.06 1 6 0 58 418.541 6 ↓

Analogs

4799619
4799619

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]acetamide 2-(2,4-dichlorophenoxy)-N-[4-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT2C-1-E Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 610 0.28 Binding ≤ 10μM
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.37 Binding ≤ 10μM
MCHR1-1-E Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 89 0.32 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) 5.08 9.2 -39.73 2 6 1 59 460.385 5 ↓
Mid Mid (pH 6-8) 5.08 11.41 -53.37 2 6 1 59 460.385 5 ↓
Mid Mid (pH 6-8) 5.08 8.94 -22.22 1 6 0 58 459.377 5 ↓

Analogs

9835022
9835022

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Popular Name: 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]-propanamide 3-(4-methoxyphenyl)-N-[4-methyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 250 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) 4.49 -1.49 -96.53 3 6 2 60 420.557 6 ↓

Analogs

4799694
4799694
4799692
4799692

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Popular Name: (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]propanamide (2R)-2-(2,4-dichlorophenoxy)-N-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 790 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) 5.44 9.79 -39.18 2 6 1 59 474.412 5 ↓
Mid Mid (pH 6-8) 5.44 12 -52.04 2 6 1 59 474.412 5 ↓
Mid Mid (pH 6-8) 5.44 9.53 -21.58 1 6 0 58 473.404 5 ↓

Analogs

4799694
4799694
4799692
4799692

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Popular Name: (2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]propanamide (2S)-2-(2,4-dichlorophenoxy)-N-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 790 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) 5.44 9.81 -39.26 2 6 1 59 474.412 5 ↓
Mid Mid (pH 6-8) 5.44 12.01 -52.8 2 6 1 59 474.412 5 ↓
Mid Mid (pH 6-8) 5.44 9.55 -21.45 1 6 0 58 473.404 5 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(4-isopropoxyphenyl)prop-2-enamide (E)-N-[2-(4-ethylpiperazin-1-yl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 95 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) 5.64 12.48 -46.11 2 6 1 59 459.614 7 ↓
Hi High (pH 8-9.5) 5.64 10.17 -16.27 1 6 0 58 458.606 7 ↓
Mid Mid (pH 6-8) 5.64 10.44 -33.66 2 6 1 59 459.614 7 ↓

Analogs

4799682
4799682

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Popular Name: (E)-3-(4-isopentyloxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]prop-2-enamide (E)-3-(4-isopentyloxyphenyl)-N-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 438 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) 6.17 11.2 -34.16 2 6 1 59 473.641 8 ↓
Mid Mid (pH 6-8) 6.17 13.4 -48 2 6 1 59 473.641 8 ↓
Mid Mid (pH 6-8) 6.17 10.94 -16.74 1 6 0 58 472.633 8 ↓

Analogs

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Popular Name: DNC004210 DNC004210

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 97 0.29 Binding ≤ 10μM
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.22 Binding ≤ 10μM
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 8370 0.21 Binding ≤ 10μM
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1890 0.24 Binding ≤ 10μM
NPY4R-1-E Neuropeptide Y Receptor Type 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5740 0.22 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.35 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) 5.28 10.71 -33.44 5 7 1 111 476.626 7 ↓
Hi High (pH 8-9.5) 5.28 10.33 -18.38 4 7 0 110 475.618 7 ↓

Analogs

4799675
4799675

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Popular Name: DNC005784 DNC005784

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 16 0.34 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) 4.90 12.07 -46.21 2 6 1 59 431.56 6 ↓
Hi High (pH 8-9.5) 4.90 9.87 -13.49 1 6 0 58 430.552 6 ↓
Mid Mid (pH 6-8) 4.90 10.17 -30.96 2 6 1 59 431.56 6 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidino-quinolin-1-ium-6-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(4-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 82 0.33 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) 6.09 -2.09 -35.31 2 5 1 55 445.37 5 ↓

Analogs

38434578
38434578
41671396
41671396
41671580
41671580

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Popular Name: DNC005104 DNC005104

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1100 0.56 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) 2.66 4.68 -10.79 2 3 0 48 202.257 3 ↓
Lo Low (pH 4.5-6) 2.66 5.19 -27.65 3 3 1 49 203.265 3 ↓

Analogs

2973745
2973745
5375987
5375987

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Popular Name: 2-(dimethylamino)ethyl 4-[5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate 2-(dimethylamino)ethyl 4-[5-(4-m…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 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) 2.07 11.47 -44.08 1 6 1 62 409.553 10 ↓

Analogs

41671393
41671393

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Popular Name: DNC005103 DNC005103

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1590 0.62 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) 1.78 2.96 -11.21 2 3 0 48 174.203 1 ↓
Lo Low (pH 4.5-6) 1.78 3.48 -28.05 3 3 1 49 175.211 1 ↓

Parameters Provided:

target.name = MCHR1-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'MCHR1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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