quinine


SMILES C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 324.2

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
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 Guide to Pharmacology
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 8.485 8.48 8.48 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 8.17 8.72 9.28 ChEMBL
H3 HRH3 Human Histamine A pKd 9.2 9.2 9.2 ChEMBL
H3 HRH3 Rat Histamine A pKi 7.48 7.48 7.48 ChEMBL
H3 Q865E1 Rhesus macaque Histamine A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pIC50 8.77 8.77 8.77 ChEMBL