compound 31 [PMID: 31259550]


SMILES OC[C@@H]1CCCN1[C@H]1CC=C(C[C@H]1C)c1cnc2c(n1)n(nc2C#N)[C@@H](c1ccc(cc1Cl)Cl)C
InChIKey KQZLRWGGWXJPOS-NLFPWZOASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 510.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR4 CCR4 Human Chemokine A pIC50 7.4 7.4 7.4 Guide to Pharmacology
CCR4 CCR4 Human Chemokine A pIC50 7.16 7.28 7.4 ChEMBL
CCR4 CCR4 Mouse Chemokine A pIC50 6.78 6.78 6.78 ChEMBL