Molecule Details
| InChIKey | XEYBRNLFEZDVAW-ARSRFYASSA-N |
|---|---|
| Compound Name | Prostaglandin E2 |
| Canonical SMILES | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00917 |
|---|---|
| Drug Name | Dinoprostone |
| CAS Number | 363-24-6 |
| Groups | approved investigational |
| ATC Codes | G02AD02 |
| Description | Dinoprostone is a naturally occurring prostaglandin E2 (PGE2). It has important effects in labour. It also stimulates osteoblasts to release factors which stimualtes bone resorption by osteoclasts. As a prescription drug it is used as a vaginal suppository, to prepare the cervix for labour and to in... |
Categories: Autacoids Biological Factors Dinoprostone, antagonists & inhibitors Eicosanoids Fatty Acids Fatty Acids, Unsaturated Genito Urinary System and Sex Hormones Inflammation Mediators Lipids OAT1/SLC22A6 Substrates OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates OATP1B1/SLCO1B1 Substrates OATP2B1/SLCO2B1 substrates OCT1 inhibitors OCT2 Inhibitors Prostaglandins Prostaglandins E Prostaglandins, Synthetic Reproductive Control Agents Uterotonic agents
Cross-references: BindingDB: 35847 ChEBI: 15551 CHEMBL548 ChemSpider: 4444059 Drugs Product Database (DPD): 2161 Guide to Pharmacology: 1916 IUPHAR: 1916 C00584 D00079 PDB: P2E PharmGKB: PA449345 PubChem:5280360 PubChem:46505549 RxCUI: 3478 Therapeutic Targets Database: DAP000360 Wikipedia: Prostaglandin_E2 ZINC: ZINC000003830713
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35408 | PTGER4 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P43115 | PTGER3 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P43116 | PTGER2 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P34995 | PTGER1 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P43088 | PTGFR | Homo sapiens | Human | PF00001 | 6.9 | Ki | BindingDB |
| P43119 | PTGIR | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| O60760 | HPGDS | Homo sapiens | Human | PF14497 PF02798 | 6.5 | Ki | BindingDB |
DrugBank Target Actions (25)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P34995 | PTGER1 | Prostaglandin E2 receptor EP1 subtype | agonist | targets |
| P35408 | PTGER4 | Prostaglandin E2 receptor EP4 subtype | agonist | targets |
| P43115 | PTGER3 | Prostaglandin E2 receptor EP3 subtype | agonist | targets |
| P43116 | PTGER2 | Prostaglandin E2 receptor EP2 subtype | agonist | targets |
| Q9Y5Y4 | PTGDR2 | Prostaglandin D2 receptor 2 | agonist | targets |
| P43088 | PTGFR | Prostaglandin F2-alpha receptor | antagonist | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O15440 | O15440 | ATP-binding cassette sub-family C member 5 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |
| Q9Y694 | Q9Y694 | Solute carrier family 22 member 7 | inhibitor | transporters |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | substrate | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | substrate | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |
| Q86UW1 | Q86UW1 | Organic solute transporter subunit alpha | substrate | transporters |
| Q86UW2 | Q86UW2 | Organic solute transporter subunit beta | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |
| Q92959 | SLCO2A1 | Solute carrier organic anion transporter family member 2A1 | substrate | transporters |
| Q96BD0 | Q96BD0 | Solute carrier organic anion transporter family member 4A1 | substrate | transporters |
| Q9NYB5 | Q9NYB5 | Solute carrier organic anion transporter family member 1C1 | substrate | transporters |
| Q9UIG8 | Q9UIG8 | Solute carrier organic anion transporter family member 3A1 | substrate | transporters |
| Q9Y694 | Q9Y694 | Solute carrier family 22 member 7 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |