I-SAP


SMILES OC(=O)CCC/C=C\C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)I
InChIKey SZNMERGTFJHNSM-JSMWPFPQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 531.1

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 6.7 6.7 6.7 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pKi 5.2 6.31 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pIC50 7.05 7.05 7.05 ChEMBL