Compound Detail
CHEMBL310836
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Basic Information
| ChEMBL ID | CHEMBL310836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUFPXLHULBEFSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.69
ALogP
8
HBA
3
HBD
121.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL5457 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 0.19 | nM | 9.72 | Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductas... | 15115391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115391 | 10.1021/jm030599o | Dihydrofolate reductase | 1 |
| 15115391 | 10.1021/jm030599o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine