CHEMBL2113098


SMILES COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2
InChIKey HBJJOFXBBJNZHP-CALCHBBNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 438.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.8 7.8 7.8 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database