CHEMBL256470


SMILES Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12
InChIKey BPRNMVDTWIHULJ-AWEZNQCLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 499.1

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
β3 ADRB3 Human Adrenoceptors A pKi 5.05 5.05 5.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.24 6.24 6.24 ChEMBL
κ OPRK Human Opioid A pKi 6.31 6.31 6.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA2 LPAR2 Mouse Lysophospholipid (LPA) A pIC50 6.49 6.51 6.53 ChEMBL
LPA4 LPAR4 Human Lysophospholipid (LPA) A pIC50 5.2 5.2 5.2 ChEMBL
LPA2 LPAR2 Human Lysophospholipid (LPA) A pIC50 6.17 6.7 7.77 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 4.41 4.41 4.41 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 5.01 5.01 5.01 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 6.22 6.22 6.22 ChEMBL