CHEMBL2205836


SMILES COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53
InChIKey PSBBAGWMKGXQRW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 309.2

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
α1B ADA1B Human Adrenoceptors A pKi 5.46 5.46 5.46 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.03 6.03 6.03 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.27 6.27 6.27 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.46 5.46 5.46 ChEMBL
H1 HRH1 Human Histamine A pKi 5.43 5.43 5.43 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.26 6.26 6.26 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.53 5.53 5.53 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.07 6.07 6.07 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.18 6.18 6.18 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.93 5.93 5.93 ChEMBL
κ OPRK Human Opioid A pKi 5.96 5.96 5.96 ChEMBL
μ OPRM Human Opioid A pKi 5.27 5.27 5.27 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database