CHEMBL3980161


SMILES Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(-c5noc(C)n5)cc4[nH]3)C[C@H]2C)n1
InChIKey SXYUBRILLHMIAQ-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 586.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Human Chemokine A pIC50 6.62 7.91 8.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 4.8 4.8 4.8 ChEMBL