Compound Detail
CHEMBL150538
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Basic Information
| ChEMBL ID | CHEMBL150538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEVXEIZWSIBHLL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
1.98
ALogP
8
HBA
2
HBD
105.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL3963 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 20000.0 | nM | 4.7 | Tested for the inhibition of Plasmodium berghei dihydrofolate reductase enzyme | 6991695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6991695 | 10.1021/jm00179a012 | Dihydrofolate reductase | 2 |
| 6991695 | 10.1021/jm00179a012 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine