bosentan

Ligand id: 3494

Name: bosentan

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 154.03
Molecular weight 551.18
XLogP 5.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP2B1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ETA receptor Rn Antagonist Antagonist 7.2 pA2 - 1
pA2 7.2 [1]
ETB receptor Rn Antagonist Antagonist 6.0 pA2 - 1
pA2 6.0 [1]
ETB receptor Hs Antagonist Antagonist 7.1 pKi - 2
pKi 7.1 (Ki 8x10-8 M) [2]