BAY-11-7085


SMILES CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1
InChIKey VHKZGNPOHPFPER-ONNFQVAWSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 249.1

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 5.79 5.79 5.79 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.66 5.66 5.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pIC50 5.38 5.38 5.38 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.36 5.36 5.36 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.46 5.46 5.46 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.7 4.7 4.7 ChEMBL