UCSF

ZINC26737055

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 41 No

Popular Name: [4-[1-(dimethylcarbamoyl)-3-[(3R)-3-(3-pyridyl)1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indol-6- [4-[1-(dimethylcarbamoyl)-3-[(3R…

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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) 3.89 14.86 -154.04 0 10 -2 133 586.566 6 ↓
Lo Low (pH 4.5-6) 3.89 13.66 -62.2 1 10 -1 130 587.574 6 ↓

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 250 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 250 0.23 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 250 0.23 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% )