Compound Detail
CHEMBL56318
METIOPRIM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL56318 |
| Name | METIOPRIM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HRZQMMXCASMDBP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
5
Known Names
Molecular Properties
306.4
MW (Da)
1.97
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL4888 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 7.25 | 7.25 | 56.2 | 1 |
| Dihydrofolate reductase CHEMBL2575 | Ki | 4.29 | 4.29 | 51286.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 8.511 | nM | 8.07 | Inhibitory activity against Escherichia coli dihydrofolate reductase | 1899453 |
| Dihydrofolate reductase | Ki | = | 56.23 | nM | 7.25 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase | 2502631 |
| Dihydrofolate reductase | Ki | = | 51286.14 | nM | 4.29 | Inhibitory activity against chicken liver dihydrofolate reductase | 2502631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3934385 | 10.1021/jm00150a026 | Escherichia coli | 2 |
| 2502631 | 10.1021/jm00128a035 | Dihydrofolate reductase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 11495588 | 10.1021/jm000226c | Dihydrofolate reductase | 1 |
| 3701780 | 10.1021/jm00155a006 | Dihydrofolate reductase | 1 |
| 3701780 | 10.1021/jm00155a006 | No relevant target | 1 |
| 1899453 | 10.1021/jm00105a008 | Dihydrofolate reductase | 1 |
| 1507206 | 10.1021/jm00095a016 | Dihydrofolate reductase | 1 |
| 2502631 | 10.1021/jm00128a035 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine