rifampicin

Ligand id: 2765

Name: rifampicin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 220.15
Molecular weight 822.41
XLogP 1.96
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Rifampicin inhibits uptake of estrone-3-sulfate by bovine Oatp1a2 in vitro (by approximately 40%), by competing with estrone-3-sulfate for the high affinity substrate binding site [4].
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP1B3
OATP1B1
Selectivity at human nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Pregnane X receptor Agonist Agonist 5.5 – 6.0 pEC50 - 1,3
pEC50 5.5 – 6.0 [1,3]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
OATP1B1 Inhibitor Inhibition 6.0 pKi - 2
pKi 6.0 (Ki 1.1x10-6 M) [2]
Description: Inhibition of atorvastatin transport by OATP1B1.
OATP1A2 Inhibitor Inhibition 4.3 pKi - 6
pKi 4.3 (Ki 5.1x10-5 M) [6]
OATP1B3 Inhibitor Inhibition 5.8 pIC50 - 2,5
pIC50 5.8 (IC50 1.6x10-6 M) [2,5]