Compound Detail
CHEMBL300385
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Basic Information
| ChEMBL ID | CHEMBL300385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFFSAMQTQAFOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.87
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 CHEMBL2627 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 | IC50 | = | 3.1 | nM | 8.51 | Inhibitory activity against Dihydrofolate reductase in Escherichia coli | 2666668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2666668 | 10.1021/jm00128a042 | Dihydrofolate reductase type 1 | 1 |
| 2666668 | 10.1021/jm00128a042 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine