treprostinil

Ligand id: 5820

Name: treprostinil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 390.24
XLogP 4.74
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
DP1 receptor Hs Agonist Full agonist 8.4 pKi - 1
pKi 8.4 [1]
EP2 receptor Hs Agonist Full agonist 8.4 pKi - 1
pKi 8.4 [1]
IP receptor Hs Agonist Full agonist 7.5 pKi - 1
pKi 7.5 [1]
EP1 receptor Hs Agonist Full agonist 6.7 pKi - 1
pKi 6.7 [1]
EP4 receptor Hs Agonist Agonist 6.1 pKi - 1
pKi 6.1 (Ki 8x10-7 M) [1]
EP3 receptor Hs Agonist Full agonist 5.6 pKi - 1
pKi 5.6 (Ki 2.5x10-6 M) EP3-I isoform [1]
IP receptor Hs Agonist Full agonist 8.7 pEC50 - 1
pEC50 8.7 [1]
EP4 receptor Hs Agonist Agonist 6.7 pEC50 - 1
pEC50 6.7 (EC50 2x10-7 M) [1]
Ligand mentioned in the following text fields