CHEMBL3417586


SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1
InChIKey FJHKZEVPGYADEG-XYPHTWIQSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 327.2

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 7.85 7.85 7.85 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
H3 HRH3 Human Histamine A pKi 8.35 8.35 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pEC50 9.22 9.22 9.22 ChEMBL