Compound Detail
CHEMBL355151
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Basic Information
| ChEMBL ID | CHEMBL355151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJIPCQLHXJBVJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.19
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | Ki | 7.02 | 7.02 | 96.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 96.3 | nM | 7.02 | Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase | 7877140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase | 5 |
| 7877140 | 10.1021/jm00005a002 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase; P. carinii vs rat | 1 |
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase; T. gondii vs rat | 1 |
Data from ChEMBL 36 via Core Engine