CHEMBL22744


SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(NCCCCCCCNC4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1
InChIKey LXWHNYYETIMYQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 606.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pIC50 7.0 7.0 7.0 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pIC50 10.3 10.3 10.3 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.74 8.74 8.74 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.74 8.74 8.74 ChEMBL