CHEMBL323517


SMILES O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1
InChIKey JSPIFTWKMOPKHZ-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 476.2

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
H3 HRH3 Rat Histamine A pKi 7.3 7.3 7.3 ChEMBL
H2 HRH2 Human Histamine A pKi 5.4 5.4 5.4 ChEMBL
H1 HRH1 Human Histamine A pKi 4.43 4.43 4.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database