Compound Detail
CHEMBL266320
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Basic Information
| ChEMBL ID | CHEMBL266320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEVDQDKAMWPQSF-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
194.6
MW (Da)
1.45
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 562.34 | nM | 6.25 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2404122 | 10.1021/jm00163a067 | Dihydrofolate reductase | 3 |
| 2404122 | 10.1021/jm00163a067 | No relevant target | 2 |
| 2404122 | 10.1021/jm00163a067 | Staphylococcus aureus | 1 |
| 2404122 | 10.1021/jm00163a067 | Escherichia coli | 1 |
| 2404122 | 10.1021/jm00163a067 | Mus musculus | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine