CHEMBL2032049


SMILES C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21
InChIKey WAOZNBXSEVIAGX-MBOZVWFJSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 462.2

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
MCH1 MCHR1 Human Melanin-concentrating hormone A pKi 9.22 9.22 9.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.95 5.95 5.95 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MCH1 MCHR1 Rhesus macaque Melanin-concentrating hormone A pIC50 9.1 9.1 9.1 ChEMBL
MCH1 MCHR1 Rat Melanin-concentrating hormone A pIC50 9.1 9.1 9.1 ChEMBL
MCH1 MCHR1 Human Melanin-concentrating hormone A pIC50 8.92 9.07 9.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.94 5.94 5.94 ChEMBL
MCH1 MCHR1 Mouse Melanin-concentrating hormone A pIC50 9.22 9.22 9.22 ChEMBL