CHEMBL4470780


SMILES Cc1nn(CCOCCOCCNC(=O)CCCCCC2(C)C(/C=C/C=C/C=C3/N(CCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc32)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIKey NMZPBNMJPWEQGW-NZVNFOOKSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 4
Rotatable bonds 32
Molecular weight (Da) 1291.5

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
H3 HRH3 Human Histamine A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pIC50 7.89 7.89 7.89 ChEMBL
H3 HRH3 Human Histamine A pEC50 7.06 7.06 7.06 ChEMBL