CHEMBL6146975


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

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 448.1

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 6.08 6.08 6.08 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.86 5.86 5.86 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.13 6.13 6.13 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
κ OPRK Human Opioid A pKi 9.0 9.53 10.06 ChEMBL
μ OPRM Human Opioid A pKi 5.44 5.44 5.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.2 8.22 8.24 ChEMBL
μ OPRM Human Opioid A pEC50 4.39 4.39 4.4 ChEMBL