UCSF

ZINC11962728

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 18 Yes

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) 3.63 1.76 -46.31 0 3 -1 49 241.266 5

Vendor Notes

Note Type Comments Provided By
MP 84-86° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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 3200 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FFAR1_HUMAN O14842 Free Fatty Acid Receptor 1, Human 3200 0.43 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% )