UCSF

ZINC28529897

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 40 No

Popular Name: N-[(1R)-1-[(4-chlorophenyl)methyl]-2-oxo-2-[4-[1-[[(2-phenylacetyl)amino]methyl]cyclohexyl]piperazin N-[(1R)-1-[(4-chlorophenyl)methy…

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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) 4.89 15.25 -69.76 3 7 1 83 566.166 10 ↓
Mid Mid (pH 6-8) 4.89 13.31 -22.02 2 7 0 82 565.158 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 130 0.24 Binding ≤ 1μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 130 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Peptide ligand-binding receptors

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