UCSF

ZINC08552016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 30 Yes

CAS Number: 15291-77-7

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) -2.38 -1.13 -20.78 3 10 0 148 424.402 1

Vendor Notes

Note Type Comments Provided By
Target Prostaglandin G/H synthase 1(P23219)&Prostaglandin G/H synthase 2(P35354)&DNA gyrase subunit B(P0AES6)&DNA topoisomerase 1(P11387)&Transcription factor AP-1(P05412)&Gap junction alpha-1 protein(P17302)&Prostaglandin E2 receptor EP3 subtype(P43115)&Nitric Herbal Ingredients Targets

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 3), Eukaryotic Eukaryotes 418 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 418 0.30 Functional ≤ 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% )