CHEMBL6133333


SMILES C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(Br)cc14
InChIKey ZZVAJOIZJVCIBQ-ZQUMFQRDSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 400.1

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.14 6.14 6.14 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 ChEMBL
κ OPRK Human Opioid A pKi 9.0 9.22 9.44 ChEMBL
μ OPRM Human Opioid A pKi 5.26 5.26 5.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.4 8.41 8.41 ChEMBL
μ OPRM Human Opioid A pEC50 4.96 4.98 5.0 ChEMBL