ibodutant


SMILES O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1
InChIKey YQYSVMKCMIUCHY-WJOKGBTCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 644.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 8.9 9.1 9.34 ChEMBL
H3 HRH3 Human Histamine A pKd 9.08 9.69 9.84 ChEMBL
H3 HRH3 Human Histamine A pKi 8.03 9.23 10.22 ChEMBL
H3 HRH3 Human Histamine A pKi 9.22 9.22 9.22 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pIC50 9.28 9.28 9.28 ChEMBL