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

Ligand site mutations H3 H4

Sankey plot

Compound is not listed as a drug.

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 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
H3 HRH3 Mouse Histamine A pKi 9.5 9.5 9.5 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 6.8 6.86 6.91 ChEMBL
H3 HRH3 Rat Histamine A pKi 9.06 9.37 9.75 PDSP Ki database
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 8.96 9.6 ChEMBL
H3 HRH3 Human Histamine A pKd 7.36 8.24 10.0 ChEMBL
H3 HRH3 Human Histamine A pKi 5.0 8.74 9.82 PDSP Ki database
H4 HRH4 Human Histamine A pKi 7.38 7.86 8.1 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.76 7.76 7.76 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.8 7.8 7.8 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.56 5.56 5.56 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.24 5.24 5.24 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 9.65 9.65 9.65 PDSP Ki database
H4 HRH4 Human Histamine A pKi 7.4 7.85 8.3 Guide to Pharmacology
H3 HRH3 Mouse Histamine A pKi 9.22 9.22 9.22 ChEMBL
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 pIC50 9.0 9.0 9.0 ChEMBL
H3 HRH3 Mouse Histamine A pEC50 8.77 8.77 8.77 ChEMBL