betulinic acid

Ligand id: 3945

Name: betulinic acid

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 456.36
XLogP 9.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPBA receptor Hs Agonist Full agonist 6.0 pEC50 - 1
⤷ pEC50 6.0 (EC50 1.04x10-6 M) [1]
Ligand mentioned in the following text fields
Bile acid receptor comments