Compound Detail
CHEMBL417744
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Basic Information
| ChEMBL ID | CHEMBL417744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZTDHTOLLTVHQT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.19
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against prostaglandin biosynthesis in stimulated chondrocyte... | 3263504 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | In vitro inhibition of prostaglandin E2 production in cultured chondrocytes | 2527995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3263504 | 10.1021/jm00119a024 | Mus musculus | 1 |
| 3263504 | 10.1021/jm00119a024 | No relevant target | 1 |
| 3263504 | 10.1021/jm00119a024 | Unchecked | 1 |
| 2527995 | 10.1021/jm00129a018 | Rattus norvegicus | 1 |
| 2527995 | 10.1021/jm00129a018 | Unchecked | 1 |
| 950647 | 10.1021/jm00228a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine