butaprost (free acid form)

Ligand id: 1892

Name: butaprost (free acid form)

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 94.83
Molecular weight 394.27
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
EP2 receptor Rn Agonist Full agonist 7.2 pKi - 2
pKi 7.2 [2]
EP2 receptor Hs Agonist Full agonist 5.9 – 7.0 pKi - 1,3
pKi 5.9 – 7.0 [1,3]
EP3 receptor Hs Agonist Full agonist 5.8 pKi - 1
pKi 5.8 (Ki 1.643x10-6 M) EP3-III isoform [1]
EP3 receptor Rn Agonist Full agonist 4.9 pKi - 2
pKi 4.9 (Ki 1.18x10-5 M) EP3α isoform [2]
DP1 receptor Hs Agonist Full agonist 4.9 pKi - 1
pKi 4.9 [1]
EP4 receptor Rn Agonist Full agonist 4.8 pKi - 2
pKi 4.8 [2]
EP4 receptor Hs Agonist Full agonist 4.7 pKi - 1
pKi 4.7 [1]
TP receptor Hs Agonist Full agonist 4.7 pKi - 1
pKi 4.7 [1]
IP receptor Hs Agonist Full agonist 4.3 pKi - 1
pKi 4.3 [1]