CHEMBL2112882


SMILES CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12
InChIKey FRMZDOIYBVOLRB-CTTKVJGISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 597.3

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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 10.2 10.2 10.2 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.7 8.7 8.7 ChEMBL