UCSF

ZINC64541032

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 34 No

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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Download: MOL2 SDF SMILES Flexibase

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 ↓

Activity (Go SEA)

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

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.