Compound Detail
CHEMBL503824
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Basic Information
| ChEMBL ID | CHEMBL503824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWWIDYNYLZQEQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
3.13
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.8 | 4.8 | 15920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 15920.0 | nM | 4.8 | Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using ... | 32738413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125236 | 10.1021/np060284m | A549 | 1 |
| 17125236 | 10.1021/np060284m | A2780 | 1 |
| 17125236 | 10.1021/np060284m | Bel-7402 | 1 |
| 17125236 | 10.1021/np060284m | BGC-823 | 1 |
| 17125236 | 10.1021/np060284m | HCT-8 | 1 |
| 17125236 | 10.1021/np060284m | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 17125236 | 10.1021/np060284m | Prothrombin | 1 |
| 32738413 | 10.1016/j.ejmech.2020.112620 | Prostaglandin G/H synthase 2 | 1 |
| 32738413 | 10.1016/j.ejmech.2020.112620 | Prostaglandin G/H synthase 1 | 1 |
| 32738413 | 10.1016/j.ejmech.2020.112620 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine