SR146131


SMILES COc1cc(Cl)c(cc1c1nc(sc1CCC1CCCCC1)NC(=O)c1cc2c(n1CC(=O)O)c(C)cc(c2)C)OC
InChIKey NFDFTMICKVDYLQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 609.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7XOV

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 7.1 7.53 8.23 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 7.68 8.5 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.9 7.9 7.9 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database