Compound Detail
CHEMBL7357
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Basic Information
| ChEMBL ID | CHEMBL7357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWKSIOXQSXRKQV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.45
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1926 | Ki | 7.19 | 7.19 | 64.6 | 1 |
| Dihydrofolate reductase CHEMBL2575 | Ki | 6.93 | 6.93 | 117.5 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | Ki | 5.72 | 5.72 | 1905.5 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 5.68 | 5.68 | 2089.3 | 1 |
| Dihydrofolate reductase CHEMBL1809 | Ki | 5.31 | 5.31 | 4897.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 64.57 | nM | 7.19 | Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. | 7699713 |
| Dihydrofolate reductase | Ki | = | 117.49 | nM | 6.93 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Ki | = | 1905.46 | nM | 5.72 | Inhibition of dihydrofolate reductase (DHFR) from Leishmania major | 3599028 |
| Dihydrofolate reductase | Ki | = | 2089.3 | nM | 5.68 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | 6420569 |
| Dihydrofolate reductase | Ki | = | 4897.79 | nM | 5.31 | Inhibition constant against binding of Escherichia coli dihydrofolate reductase | 3290487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6796688 | 10.1021/jm00144a010 | Lacticaseibacillus casei | 2 |
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 2 |
| 7699713 | 10.1021/jm00006a016 | Dihydrofolate reductase | 1 |
| 3599028 | 10.1021/jm00390a017 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 6796688 | 10.1021/jm00144a010 | Dihydrofolate reductase | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7057420 | 10.1021/jm00344a012 | L5178Y | 1 |
| 9379435 | 10.1021/jm970211n | Dihydrofolate reductase | 1 |
| 7057421 | 10.1021/jm00344a013 | L5178Y | 1 |
| 3934385 | 10.1021/jm00150a026 | Dihydrofolate reductase type 1 | 1 |
| 3290487 | 10.1021/jm00402a025 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine