PGE2

Ligand id: 1883

Name: PGE2

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 94.83
Molecular weight 352.22
XLogP 2.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Natural/Endogenous Targets
Target
DP1 receptor
DP2 receptor
EP1 receptor
EP2 receptor
EP3 receptor
EP4 receptor
FP receptor
IP receptor
TP receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
mPGES1
CBR1
cPGES
mPGES2
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Organic cation transporter 1
Organic anion transporter 2
Organic cation transporter 2 6
OATP1A2
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
EP3 receptor Agonist Full agonist 8.2 – 9.1 pKd - 17,20-21
pKd 8.7 (Kd 2.1x10-9 M) EP3-II & -III isoforms [17]
pKd 8.2 – 9.1 (Kd 6x10-9 – 8x10-10 M) EP3-I isoform [17,20-21]
EP3 receptor Agonist Full agonist 9.5 pKi - 1
pKi 9.5 (Ki 3.3x10-10 M) EP3-III isoform [1]
EP4 receptor Agonist Full agonist 8.1 – 9.1 pKi - 1,4,10,16,21
pKi 8.1 – 9.1 (Ki 7.94x10-9 – 7.94x10-10 M) [1,4,10,16,21]
EP2 receptor Agonist Full agonist 7.5 – 8.3 pKi - 1,16,21
pKi 7.5 – 8.3 (Ki 3.16x10-8 – 5.01x10-9 M) [1,16,21]
EP1 receptor Agonist Full agonist 7.3 – 8.0 pKi - 1,15,21
pKi 7.3 – 8.0 [1,15,21]
DP1 receptor Agonist Full agonist 6.5 – 7.0 pKi - 1-2,22
pKi 6.5 – 7.0 [1-2,22]
FP receptor Agonist Full agonist 6.4 – 6.9 pKi - 1,12
pKi 6.4 – 6.9 [1,12]
DP2 receptor Agonist Full agonist 5.3 pKi - 14
pKi 5.3 [14]
TP receptor Agonist Full agonist 4.5 pKi - 1
pKi 4.5 [1]
EP4 receptor Agonist Full agonist 6.1 pEC50 - 8
pEC50 6.1 (EC50 9x10-7 M) [8]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CatSper1 Activator Full agonist 6.3 pEC50 - 9
pEC50 6.3 (EC50 5x10-7 M) [9]
Voltage: -80.0 mV
Description: Patch clamp electrophysiology
CatSper2 Activator Full agonist 6.3 pEC50 - 9
pEC50 6.3 (EC50 5x10-7 M) [9]
Voltage: -80.0 mV
Description: Patch clamp electrophysiology.
CatSper3 Activator Full agonist 6.3 pEC50 - 9
pEC50 6.3 (EC50 5x10-7 M) [9]
Voltage: -80.0 mV
Description: Patch clamp electrophysiology.
CatSper4 Activator Full agonist 6.3 pEC50 - 9
pEC50 6.3 (EC50 5x10-7 M) [9]
Voltage: -80.0 mV
Description: Patch clamp electrophysiology.
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
EP3 receptor Agonist Full agonist 8.9 pKd - 7
pKd 8.9 (Kd 1.4x10-9 M) [7]
EP4 receptor Agonist Full agonist 8.6 pKd - 7
pKd 8.6 (Kd 2.5x10-9 M) [7]
EP3 receptor Agonist Full agonist 9.1 pKi - 7
pKi 9.1 (Ki 8.5x10-10 M) [7]
EP4 receptor Agonist Full agonist 8.5 – 8.7 pKi - 7,19
pKi 8.5 – 8.7 (Ki 3x10-9 – 2x10-9 M) [7,19]
EP1 receptor Agonist Full agonist 7.7 pKi - 7,19
pKi 7.7 [7,19]
EP2 receptor Agonist Full agonist 7.4 – 7.9 pKi - 7,18-19
pKi 7.4 – 7.9 [7,18-19]
FP receptor Agonist Full agonist 7.0 pKi - 7
pKi 7.0 [7]
DP2 receptor Agonist Full agonist 5.5 pKi - 5
pKi 5.5 [5]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
EP3 receptor Agonist Full agonist 7.8 – 9.1 pKd - 3,11,13,17
pKd 9.0 (Kd 1.1x10-9 M) EP3γ isoform [17]
pKd 8.3 – 9.1 (Kd 5x10-9 – 8x10-10 M) EP3α isoform [3,13,17]
pKd 7.8 – 8.4 (Kd 1.5x10-8 – 3.9x10-9 M) EP3β isoform [11,13]
EP3 receptor Agonist Full agonist 9.0 pKi - 3
pKi 9.0 [3]
EP4 receptor Agonist Full agonist 9.0 pKi - 3
pKi 9.0 [3]
EP2 receptor Agonist Full agonist 8.2 pKi - 3
pKi 8.2 [3]
EP1 receptor Agonist Full agonist 7.7 pKi - 3
pKi 7.7 [3]
EP3 receptor Agonist Full agonist 9.4 pEC50 - 3
pEC50 9.4 (EC50 4.1x10-10 M) EP3α isoform [3]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields