CHEMBL2170801


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc21
InChIKey ABFIZLKSVSXUKS-MFVLPEOLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 431.2

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-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.54 6.03 6.27 ChEMBL
δ OPRD Human Opioid A pKi 5.41 5.41 5.41 ChEMBL
A1 AA1R Human Adenosine A pKi 6.36 6.36 6.36 ChEMBL
κ OPRK Human Opioid A pKi 6.96 6.96 6.96 ChEMBL
μ OPRM Human Opioid A pKi 5.46 5.46 5.46 ChEMBL
A3 AA3R Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database