CHEMBL5632857


SMILES O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
InChIKey PJRBNNKAYRHMNT-BHLMYSNQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 479.2

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.19 5.19 5.19 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.6 5.6 5.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.24 6.28 6.32 ChEMBL
A3 AA3R Human Adenosine A pKi 5.08 5.08 5.08 ChEMBL
A1 AA1R Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.19 5.19 5.19 ChEMBL
μ OPRM Human Opioid A pKi 5.24 5.24 5.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database