Compound Detail
CHEMBL266025
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Basic Information
| ChEMBL ID | CHEMBL266025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLSFYHOJHGHMRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.33
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 7.15 | 7.15 | 70.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 70.79 | nM | 7.15 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 6796688 | 10.1021/jm00144a010 | Dihydrofolate reductase | 1 |
| 7057420 | 10.1021/jm00344a012 | L5178Y | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7057421 | 10.1021/jm00344a013 | L5178Y | 1 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine