clobenpropit

Ligand id: 1223

Name: clobenpropit

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.36
Molecular weight 308.09
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
H3 receptor Mm Antagonist Antagonist 9.5 pKi - 2
pKi 9.5 [2]
H3 receptor Rn Antagonist Antagonist 8.9 – 9.8 pKi - 4-5,9-10,12-13
pKi 8.9 – 9.8 [4-5,9-10,12-13]
H3 receptor Hs Antagonist Antagonist 8.4 – 9.4 pKi - 3-5,7,9,12-13
pKi 8.4 – 9.4 (Ki 3.9x10-9 – 3.9x10-10 M) [3-5,7,9,12-13]
H4 receptor Hs Agonist Partial agonist 7.4 – 8.3 pKi - 4,6-8,11
pKi 7.4 – 8.3 (Ki 3.98x10-8 – 5.01x10-9 M) [4,6-8,11]
H4 receptor Mm Agonist Partial agonist 7.8 pKi - 8
pKi 7.8 [8]
H4 receptor Rn Agonist Partial agonist 7.2 pKi - 8
pKi 7.2 [8]
H1 receptor Hs Antagonist Antagonist 5.6 pKi - 4
pKi 5.6 [4]
H2 receptor Hs Antagonist Antagonist 5.2 pKi - 4
pKi 5.2 [4]
Ligand mentioned in the following text fields