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Chemical structure of PSB-KK1415

GC74008

PSB-KK1415

Also known as 7-[(4-chlorophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione

PSB-KK1415 is a selective agonist for human orphan G protein-coupled receptor GPR18, with EC50 of 19·1 nM

ChemicalCAS885896-26-4MW462.93FormulaC24H23ClN6O2
CAS number
885896-26-4
Molecular weight
462.93
Formula
C24H23ClN6O2
InChIKey
FHFDQEPXKZVEOI-UHFFFAOYSA-N
Catalogue number
GC74008
Brand
GLPBIO
Computed properties PubChem CID 4874764 · XLogP 4.2 · TPSA 86.3 Ų · H-bond donors 2
XLogP
4.2
TPSA
86.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33

SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

Computed descriptors from PubChem (CID 4874764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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