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Chemical structure of GPR4 antagonist 1

GC30520

GPR4 antagonist 1

Also known as 2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-(4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine

GPR4 antagonist 1 is a GPR4 antagonist, with an IC50 of 189 nM

ChemicalCAS1197879-16-5MW431.62FormulaC27H37N5
CAS number
1197879-16-5
Molecular weight
431.62
Formula
C27H37N5
Solubility
DMSO ： 125 mg/mL (289·61 mM; Need ultrasonic)
InChIKey
UAMIBPKKKLTAKG-BQYQJAHWSA-N
Catalogue number
GC30520
Brand
GLPBIO
Computed properties PubChem CID 57970302 · XLogP 5 · TPSA 37.2 Ų · H-bond donors 0
XLogP
5
TPSA
37.2 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32

SMILES CCC1=NC2=C(N1CC3=CC=C(C=C3)/C=C/CN4CCN(CC4)C(C)C)N=C(C=C2C)C

Computed descriptors from PubChem (CID 57970302), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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