Compound Detail
CHEMBL118561
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Basic Information
| ChEMBL ID | CHEMBL118561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUEOPJOAMXKQSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
0.85
ALogP
5
HBA
3
HBD
97.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 7.56 | 7.56 | 27.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 27.54 | nM | 7.56 | Negative logarithm of inhibition constant (-log Ki) against Dihydrofolate reduct... | 8784450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784450 | 10.1021/jm960197z | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine