Compound Detail
CHEMBL6962
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Basic Information
| ChEMBL ID | CHEMBL6962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCJOVXVEEYNISX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.21
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 7.38 | 7.38 | 41.7 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 5.05 | 5.05 | 8912.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 41.69 | nM | 7.38 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Dihydrofolate reductase | Ki | = | 8912.51 | nM | 5.05 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | 6420569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 319234 | 10.1021/jm00211a020 | Dihydrofolate reductase | 4 |
| 7241512 | 10.1021/jm00137a013 | Dihydrofolate reductase | 2 |
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 2 |
| 6694162 | 10.1021/jm00368a007 | Dihydrofolate reductase | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 319234 | 10.1021/jm00211a020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine