CHEMBL3099899


SMILES COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC
InChIKey VDWKDBPHAPPUBO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 493.1

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
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
OX1 OX1R Human Orexin A pKi 7.03 7.03 7.03 ChEMBL
OX2 OX2R Human Orexin A pKi 10.15 10.15 10.15 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.18 6.18 6.18 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.49 5.49 5.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
μ OPRM Human Opioid A pKi 5.69 5.69 5.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 5.62 5.62 5.62 ChEMBL
OX1 OX1R Human Orexin A pIC50 6.54 6.54 6.54 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.92 7.92 7.92 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.98 5.98 5.98 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.02 5.02 5.02 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.64 5.64 5.64 ChEMBL
μ OPRM Human Opioid A pIC50 5.3 5.3 5.3 ChEMBL