Compound Detail
CHEMBL45545
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Basic Information
| ChEMBL ID | CHEMBL45545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVGKDAYQHVFRGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25000.0 | nM | 4.6 | Evaluated in vitro for its ability to inhibit prostaglandin E2 production in cul... | 2970548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2970548 | 10.1021/jm00117a009 | Rattus norvegicus | 1 |
| 2970548 | 10.1021/jm00117a009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine