Compound Detail
CHEMBL275809
FR-122047 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL275809 |
| Name | FR-122047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBHKJRYGKOSQDJ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.88
ALogP
6
HBA
0
HBD
54.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 7.55 | 7.3 | 28.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.19 | 4.19 | 65000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of COX1 | 18363350 |
| Prostaglandin G/H synthase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of ovine COX-1 | 38219659 |
| Oryctolagus cuniculus | IC50 | = | 88.0 | nM | 7.06 | In vitro antiplatelet activity against arachidonic acid induced malondialdehyde ... | 8164261 |
| Prostaglandin G/H synthase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of COX1 in human platelet microsomes assessed as reduction in formati... | 30344915 |
| Prostaglandin G/H synthase 2 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of COX2 | 18363350 |
| Prostaglandin G/H synthase 2 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of human COX-2 | 38219659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164261 | 10.1021/jm00034a017 | Cavia porcellus | 4 |
| 8164261 | 10.1021/jm00034a017 | Rattus norvegicus | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8164261 | 10.1021/jm00034a017 | Oryctolagus cuniculus | 1 |
| 8164261 | 10.1021/jm00034a017 | NON-PROTEIN TARGET | 1 |
| 18363350 | 10.1021/jm701191z | Prostaglandin G/H synthase 1 | 1 |
| 18363350 | 10.1021/jm701191z | Prostaglandin G/H synthase 2 | 1 |
| 30344915 | 10.1021/acsmedchemlett.8b00352 | Prostaglandin G/H synthase 1 | 1 |
| 30344915 | 10.1021/acsmedchemlett.8b00352 | Prostaglandin G/H synthase 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Unchecked | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 1 | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine