CHEMBL503468


SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1
InChIKey HXPLFONFARJCJA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 770.4

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 7.1 7.1 7.1 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.5 5.5 5.5 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.16 6.16 6.16 ChEMBL