Compound Detail
CHEMBL6979
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Basic Information
| ChEMBL ID | CHEMBL6979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSWGIUCUSOBPPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.11
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 7.079 | nM | 8.15 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 117107 | 10.1021/jm00196a019 | Plasmodium gallinaceum | 8 |
| 37976708 | 10.1016/j.ejmech.2023.115932 | Polyunsaturated fatty acid 5-lipoxygenase | 5 |
| 117107 | 10.1021/jm00196a019 | Plasmodium berghei | 5 |
| 117107 | 10.1021/jm00196a019 | Staphylococcus aureus | 2 |
| 37976708 | 10.1016/j.ejmech.2023.115932 | Bifunctional epoxide hydrolase 2 | 2 |
| 37976708 | 10.1016/j.ejmech.2023.115932 | Prostaglandin E synthase | 2 |
| 117107 | 10.1021/jm00196a019 | Plasmodium falciparum | 2 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 117107 | 10.1021/jm00196a019 | Enterococcus faecalis | 1 |
| 6737433 | 10.1021/jm00373a016 | Dihydrofolate reductase | 1 |
| 117107 | 10.1021/jm00196a019 | Pseudomonas aeruginosa | 1 |
| 117107 | 10.1021/jm00196a019 | Escherichia coli | 1 |
| 117107 | 10.1021/jm00196a019 | Shigella sonnei | 1 |
| 117107 | 10.1021/jm00196a019 | Mycobacterium tuberculosis | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
| 319234 | 10.1021/jm00211a020 | Dihydrofolate reductase | 1 |
| 7120278 | 10.1021/jm00350a003 | Dihydrofolate reductase | 1 |
| 7392027 | 10.1021/jm00180a004 | Dihydrofolate reductase | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine