CHEMBL273083


SMILES CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1
InChIKey IBPXYDUJQWENPM-XZOQPEGZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 593.2

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
H1 HRH1 Human Histamine A pKi 5.79 5.79 5.79 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 5.5 5.5 5.5 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 5.55 5.55 5.55 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 6.52 8.13 9.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.04 6.04 6.04 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.63 5.63 5.63 ChEMBL