clobenpropit


SMILES Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N
InChIKey UCAIEVHKDLMIFL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 308.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8JXX
Ligand site mutations H3 H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 5.6 5.6 5.6 Guide to Pharmacology
H2 HRH2 Human Histamine A pKi 5.2 5.2 5.2 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 8.41 8.91 9.41 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 7.4 7.85 8.3 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 7.8 7.8 7.8 Guide to Pharmacology
H4 HRH4 Rat Histamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 8.9 9.35 9.8 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 6.8 6.86 6.91 ChEMBL
H3 HRH3 Rat Histamine A pKi 8.85 9.35 9.8 ChEMBL
H4 HRH4 Human Histamine A pKi 7.11 7.86 9.0 ChEMBL
H4 HRH4 Human Histamine A pKd 7.51 7.51 7.51 ChEMBL
H3 HRH3 Human Histamine A pKi 8.5 8.99 9.6 ChEMBL
H3 HRH3 Human Histamine A pKd 7.36 8.24 10.0 ChEMBL
H3 HRH3 Mouse Histamine A pKi 9.22 9.22 9.22 ChEMBL
H3 HRH3 Mouse Histamine A pKi 9.5 9.5 9.5 Guide to Pharmacology
H3 HRH3 Guinea pig Histamine A pKd 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 6.07 6.07 6.07 ChEMBL
H4 HRH4 Human Histamine A pEC50 7.65 7.65 7.65 ChEMBL
H3 HRH3 Human Histamine A pIC50 8.88 8.98 9.1 ChEMBL
H3 HRH3 Mouse Histamine A pEC50 8.77 8.77 8.77 ChEMBL
H3 HRH3 Mouse Histamine A pIC50 9.0 9.0 9.0 ChEMBL