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Chemical structure of GPR35 agonist 1

GC36184

GPR35 agonist 1

Also known as 6-bromo-7-hydroxy-8-nitro-3-(2H-tetrazol-5-yl)chromen-2-one

GPR35 agonist 1 (compound 50) is a potent and specific G protein-coupled receptor-35 (GPR35)/CXCR8 agonist with an EC50 of 5·8 nM, displays good druggability

ChemicalCAS2079880-92-3MW354.07FormulaC10H4BrN5O5
CAS number
2079880-92-3
Molecular weight
354.07
Formula
C10H4BrN5O5
Solubility
DMSO ： 50 mg/mL (141·22 mM; Need ultrasonic)
InChIKey
AQJFPDDDKBWBAG-UHFFFAOYSA-N
Catalogue number
GC36184
Brand
GLPBIO
Computed properties PubChem CID 137662152 · XLogP 1.8 · TPSA 147 Ų · H-bond donors 2
XLogP
1.8
TPSA
147 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
21

SMILES C1=C2C=C(C(=O)OC2=C(C(=C1Br)O)[N+](=O)[O-])C3=NNN=N3

Computed descriptors from PubChem (CID 137662152), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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