CHEMBL146720


SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
InChIKey BNMIOTKQNUSAEJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 518.3

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 9.44 9.44 9.44 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.38 9.38 9.38 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 9.55 9.55 9.55 ChEMBL