JR14a


SMILES O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)N[C@H](C(=O)O)CCCNC(=N)N
InChIKey OHRIKWUZKGNQKQ-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 532.1

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 Human Histamine A pKd 8.8 8.8 8.8 ChEMBL
H3 HRH3 Human Histamine A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database