Compound Detail
CHEMBL107167
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Basic Information
| ChEMBL ID | CHEMBL107167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJQGTWXFPZUEAF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
4.14
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2902 | IC50 | 5.7 | 5.52 | 2000.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Dihydrofolate reductase CHEMBL1809 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 2000.0 | nM | 5.7 | Tested for inhibitory activity against dihydrofolate reductase in Lactobacillus ... | 8230096 |
| Dihydrofolate reductase | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 4600.0 | nM | 5.34 | Tested for inhibitory activity against dihydrofolate reductase in Beef liver | 8230096 |
| Dihydrofolate reductase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of dihydrofolate reductase in pneumocystis carinii. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 5 |
Data from ChEMBL 36 via Core Engine