Compound Detail
CHEMBL320596
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Basic Information
| ChEMBL ID | CHEMBL320596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMBNQAVADXFXRF-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.49
ALogP
8
HBA
3
HBD
142.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 5.2 | nM | 8.28 | Relative Binding affinity against Dihydrofolate reductase of Escherichia coli | 3973902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3973902 | 10.1021/jm00381a008 | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine