SB328437


SMILES COC(=O)[C@@H](NC(=O)c1ccc2c(c1)cccc2)Cc1ccc(cc1)N(=O)=O
InChIKey KOLBWAVLYDRUOC-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 378.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.699999999999999 7.7 7.7 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pKi 7.5 7.5 7.5 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pKi 8.85 8.85 8.85 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 5.87 7.62 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR7 CCR7 Human Chemokine A pIC50 8.85 8.85 8.85 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 8.1 8.73 8.92 ChEMBL
CCR5 CCR5 Human Chemokine A pEC50 8.15 8.15 8.15 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 7.3 8.22 10.52 ChEMBL
CCR2 CCR2 Mouse Chemokine A pIC50 4.64 4.64 4.64 ChEMBL