Compound Detail
CHEMBL57343
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Basic Information
| ChEMBL ID | CHEMBL57343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGMLPHRAADCMBM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.24
ALogP
6
HBA
4
HBD
127.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 CHEMBL2627 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 6.82 | 6.82 | 151.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 | Ki | = | 9.55 | nM | 8.02 | Inhibitory activity against Escherichia coli dihydrofolate reductase | 1899453 |
| Dihydrofolate reductase | Ki | = | 151.36 | nM | 6.82 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase | 2502631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1899453 | 10.1021/jm00105a008 | Unchecked | 2 |
| 2502631 | 10.1021/jm00128a035 | Dihydrofolate reductase | 2 |
| 1899453 | 10.1021/jm00105a008 | Dihydrofolate reductase type 1 | 1 |
| 1899453 | 10.1021/jm00105a008 | Dihydrofolate reductase | 1 |
| 1899453 | 10.1021/jm00105a008 | No relevant target | 1 |
| 2502631 | 10.1021/jm00128a035 | No relevant target | 1 |
| 2502631 | 10.1021/jm00128a035 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine