UCSF

ZINC13776716

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 35 Yes

Popular Name: 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N-methyl-indole-1-carbo 4-ethynyl-3-[3-fluoro-4-[(2-meth…

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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) 3.22 12.62 -23.09 1 7 0 82 465.488 4 ↓
Mid Mid (pH 6-8) 3.22 13.05 -51.19 2 7 1 83 466.496 4 ↓
Lo Low (pH 4.5-6) 3.22 12.89 -46.61 2 7 1 83 466.496 4 ↓
Lo Low (pH 4.5-6) 3.22 13.31 -113.13 3 7 2 84 467.504 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 0.63 0.37 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 0.63 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Interferon gamma signaling

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