UCSF

ZINC13831241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 26 Yes

Popular Name: GW 9508 GW 9508

Find On: PubMed — Wikipedia — Google

CAS Numbers: 885101-89-3 , [885101-89-3]

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) 4.87 12.16 -48.57 1 4 -1 61 346.406 8 ↓
Hi High (pH 8-9.5) 3.75 7.84 -4.95 0 0 0 0 202.269 1 ↓
Lo Low (pH 4.5-6) 4.87 10.19 -9.26 2 4 0 59 347.414 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target GPR Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR1-1-E Free Fatty Acid Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 6800 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FFAR1_HUMAN O14842 Free Fatty Acid Receptor 1, Human 1200 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion
Free fatty acid receptors
G alpha (q) signalling events
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)
Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp

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

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