compound 39 [PMID: 31742400]


SMILES Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C
InChIKey KLBHHUODQVCBKX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 351.1

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
CCR2 CCR2 Human Chemokine A pKi 8.8 8.8 8.81 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 8.8 8.8 8.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pIC50 7.08 7.08 7.08 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pIC50 7.68 7.68 7.68 ChEMBL
CCR2 CCR2 Human Chemokine A pEC50 7.25 7.58 7.89 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 4.08 5.58 7.09 ChEMBL
CCR5 CCR5 Human Chemokine A pEC50 8.05 8.18 8.35 ChEMBL