CHEMBL5558524


SMILES O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4)CC[C@@H]32)N1
InChIKey MXIJXDUPULMKIE-ICSRJNTNSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 381.2

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
D1 DRD1 Human Dopamine A pKi 7.3 7.3 7.3 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 ChEMBL
μ OPRM Human Opioid A pKi 7.96 7.96 7.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 7.19 7.19 7.19 ChEMBL
μ OPRM Human Opioid A pIC50 6.75 6.75 6.75 ChEMBL