13,14-dihydro-15-keto-PGF2α
| SMILES | CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O |
| InChIKey | VKTIONYPMSCHQI-XAGFEHLVSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 354.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.7 | 5.3 | 5.9 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKi | 7.8 | 8.05 | 8.3 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKd | 7.4 | 7.9 | 8.4 | Guide to Pharmacology |
| H2 | HRH2 | Rat | Histamine | A | pKi | 3.8 | 3.8 | 3.8 | Guide to Pharmacology |
| H4 | HRH4 | Mouse | Histamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| H4 | HRH4 | Mouse | Histamine | A | pKd | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| H4 | HRH4 | Rat | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| H4 | HRH4 | Rat | Histamine | A | pKd | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| H3 | HRH3 | Rat | Histamine | A | pKi | 7.2 | 7.55 | 7.9 | Guide to Pharmacology |
| H3 | HRH3 | Mouse | Histamine | A | pKi | 7.1 | 7.45 | 7.8 | Guide to Pharmacology |
| H3 | HRH3 | Human | Histamine | A | pKd | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| H3 | HRH3 | Human | Histamine | A | pKi | 7.8 | 8.05 | 8.3 | Guide to Pharmacology |
| H4 | Q91ZY3 | Guinea pig | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
| H4 | HRH4 | Mouse | Histamine | A | pKi | 5.67 | 6.61 | 7.38 | ChEMBL |
| H4 | HRH4 | Mouse | Histamine | A | pKd | 7.38 | 7.38 | 7.38 | ChEMBL |
| H1 | HRH1 | Rat | Histamine | A | pKd | 8.0 | 8.0 | 8.0 | ChEMBL |
| H4 | HRH4 | Rat | Histamine | A | pKi | 6.87 | 7.04 | 7.2 | ChEMBL |
| H4 | HRH4 | Rat | Histamine | A | pKd | 6.87 | 6.87 | 6.87 | ChEMBL |
| H3 | HRH3 | Mouse | Histamine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.0 | 8.91 | 9.11 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
| H3 | HRH3 | Rat | Histamine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.66 | 7.72 | 9.0 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKd | 7.8 | 8.05 | 8.3 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 4.3 | 5.75 | 6.58 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKd | 7.91 | 7.91 | 7.91 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.1 | 4.8 | 5.62 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 6.23 | 7.62 | 8.6 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
| 5-HT1A | F6Q2H9 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.67 | 6.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.2 | 5.51 | 7.8 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 4.57 | 5.3 | 7.0 | PDSP Ki database |
| H3 | HRH3 | Rat | Histamine | A | pKi | 6.8 | 7.81 | 8.6 | PDSP Ki database |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 7.79 | 8.63 | PDSP Ki database |
| H3 | HRH3 | Guinea pig | Histamine | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 4.4 | 4.7 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.46 | 7.58 | 8.6 | PDSP Ki database |
| H4 | Q91ZY3 | Guinea pig | Histamine | A | pKi | 6.98 | 8.41 | 9.85 | PDSP Ki database |
| TA1 | TAAR1 | Human | Trace amine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
| H2 | HRH2 | Rat | Histamine | A | pKi | 7.77 | 7.77 | 7.77 | PDSP Ki database |
| H2 | HRH2 | Human | Histamine | A | pKi | 4.3 | 5.7 | 7.8 | PDSP Ki database |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.37 | 8.37 | 8.37 | Drug Central |
| H3 | HRH3 | Human | Histamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| TA1 | TAAR1 | Human | Trace amine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| H4 | HRH4 | Mouse | Histamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| H4 | HRH4 | Rat | Histamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| H3 | HRH3 | Rat | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| H3 | HRH3 | Guinea pig | Histamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| H4 | Q91ZY3 | Guinea pig | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.22 | 5.22 | 5.22 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.39 | 8.39 | 8.39 | Drug Central |
| H3 | HRH3 | Mouse | Histamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H3 | HRH3 | Guinea pig | Histamine | A | pKi | 7.98 | 8.91 | 9.84 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H4 | HRH4 | Mouse | Histamine | A | pEC50 | 5.17 | 6.13 | 7.06 | ChEMBL |
| H1 | HRH1 | Rat | Histamine | A | pEC50 | 5.35 | 5.35 | 5.35 | ChEMBL |
| H4 | HRH4 | Rat | Histamine | A | pEC50 | 4.28 | 5.76 | 6.8 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pEC50 | 6.7 | 6.73 | 6.79 | ChEMBL |
| H3 | HRH3 | Rat | Histamine | A | pEC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 5.75 | 7.66 | 8.13 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pEC50 | 5.26 | 5.94 | 6.94 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pEC50 | 6.7 | 6.92 | 7.89 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pEC50 | 6.19 | 7.77 | 8.6 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pEC50 | 8.17 | 8.17 | 8.17 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pEC50 | 8.27 | 8.27 | 8.27 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |