CHEMBL357830


SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12
InChIKey SQMSKBYHTUAWDC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 600.3

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 9.66 9.66 9.66 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.57 9.57 9.57 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 9.59 9.59 9.59 ChEMBL