Compound Detail
CHEMBL293512
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Basic Information
| ChEMBL ID | CHEMBL293512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLHGSZGMDHCLCY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
-0.23
ALogP
9
HBA
2
HBD
138.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL2425 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Dihydrofolate reductase CHEMBL1926 | IC50 | 5.37 | 5.37 | 4280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 240.0 | nM | 6.62 | Inhibitory concentration against Rat liver Dihydrofolate reductase | 9191971 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 1120.0 | nM | 5.95 | Inhibitory concentration against Toxoplasma gondii Dihydrofolate reductase | 9191971 |
| Dihydrofolate reductase | IC50 | = | 4280.0 | nM | 5.37 | Inhibitory concentration against Pneumocystis carinii Dihydrofolate reductase | 9191971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191971 | 10.1021/jm960693n | Dihydrofolate reductase | 2 |
| 9191971 | 10.1021/jm960693n | Unchecked | 2 |
| 9191971 | 10.1021/jm960693n | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine