Compound Detail
CHEMBL6755
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Basic Information
| ChEMBL ID | CHEMBL6755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOCQHCJQUGBQGZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
1.07
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 5.56 | 5.56 | 2754.2 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | Ki | 4.4 | 4.4 | 39810.7 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 4.24 | 4.24 | 57544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 2754.23 | nM | 5.56 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Ki | = | 39810.72 | nM | 4.4 | Inhibition of dihydrofolate reductase (DHFR) from Leishmania major | 3599028 |
| Dihydrofolate reductase | Ki | = | 57543.99 | nM | 4.24 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | 6420569 |
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 |
| 3599028 | 10.1021/jm00390a017 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 6737433 | 10.1021/jm00373a016 | Dihydrofolate reductase | 1 |
| 2362268 | 10.1021/jm00169a014 | No relevant target | 1 |
| 2362268 | 10.1021/jm00169a014 | L1210 | 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 |
Data from ChEMBL 36 via Core Engine