Compound Detail
CHEMBL1652302
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Basic Information
| ChEMBL ID | CHEMBL1652302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNDLFLVGQDYAQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.89
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL5270 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 46.0 | nM | 7.34 | Inhibition of Bacillus anthracis DHFR | 19364848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19364848 | 10.1128/aac.01666-08 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine