Compound Detail
CHEMBL267437
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Basic Information
| ChEMBL ID | CHEMBL267437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTBLNWBSVGJVID-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
3.01
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL2425 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Dihydrofolate reductase CHEMBL1926 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 140.0 | nM | 6.85 | The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was tested | 10090784 |
| Dihydrofolate reductase | IC50 | = | 190.0 | nM | 6.72 | The ability to inhibit rat liver Dihydrofolate reductase was tested | 10090784 |
| Dihydrofolate reductase | IC50 | = | 400.0 | nM | 6.4 | The ability to inhibit Pneumocystis carinii Dihydrofolate reductase was tested | 10090784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase | 2 |
| 10090784 | 10.1021/jm980572i | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase; P. carinii vs rat | 1 |
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase; T. gondii vs rat | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Cryptosporidium parvum | 1 |
Data from ChEMBL 36 via Core Engine