[3H]PGE2
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O |
| InChIKey | XEYBRNLFEZDVAW-ARSRFYASSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 352.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP1 | PE2R1 | Human | Prostanoid | A | pKd | 7.6 | 7.75 | 7.9 | Guide to Pharmacology |
| EP2 | PE2R2 | Human | Prostanoid | A | pKd | 7.7 | 7.8 | 7.9 | Guide to Pharmacology |
| EP4 | PE2R4 | Human | Prostanoid | A | pKd | 7.62 | 8.57 | 9.52 | Guide to Pharmacology |
| EP3 | PE2R3 | Rat | Prostanoid | A | pKd | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| EP1 | PE2R1 | Rat | Prostanoid | A | pKd | 7.3 | 7.45 | 7.6 | Guide to Pharmacology |
| EP2 | PE2R2 | Rat | Prostanoid | A | pKd | 7.8 | 8.05 | 8.3 | Guide to Pharmacology |
| EP4 | PE2R4 | Rat | Prostanoid | A | pKd | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| EP2 | PE2R2 | Mouse | Prostanoid | A | pKd | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| EP1 | PE2R1 | Human | Prostanoid | A | pKi | 7.75 | 7.94 | 8.04 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pKi | 8.3 | 8.98 | 9.48 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 7.42 | 8.35 | 8.99 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.51 | 9.27 | 9.96 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pKd | 8.2 | 8.85 | 9.5 | Guide to Pharmacology |
| EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 8.51 | 8.51 | 8.51 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Rat | Prostanoid | A | pEC50 | 7.72 | 8.71 | 9.7 | ChEMBL |
| EP2 | PE2R2 | Rat | Prostanoid | A | pIC50 | 8.28 | 8.28 | 8.28 | ChEMBL |
| EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 8.46 | 8.8 | 9.15 | ChEMBL |
| EP4 | PE2R4 | Rat | Prostanoid | A | pIC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
| EP1 | PE2R1 | Human | Prostanoid | A | pEC50 | 8.43 | 8.43 | 8.43 | ChEMBL |
| EP1 | PE2R1 | Human | Prostanoid | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
| FP | PF2R | Human | Prostanoid | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pIC50 | 9.03 | 9.03 | 9.03 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 7.42 | 8.36 | 8.66 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 6.46 | 7.71 | 8.72 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.0 | 8.87 | 9.49 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 8.12 | 9.02 | 10.7 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 8.0 | 8.0 | 8.0 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pIC50 | 6.58 | 6.58 | 6.58 | ChEMBL |