Compound Detail
CHEMBL357573
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Basic Information
| ChEMBL ID | CHEMBL357573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPYNKCXEGCQNNF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
3.32
ALogP
6
HBA
3
HBD
114.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1926 | IC50 | 5.55 | 5.405 | 2800.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 4.72 | 4.72 | 18900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory activity was determined against dihydrofolate reductase in Pneumocyst... | 7490723 |
| Dihydrofolate reductase | IC50 | = | 5500.0 | nM | 5.26 | Inhibitory activity of Pneumocystis carinii growth culture against dihydrofolate... | 7490723 |
| Dihydrofolate reductase | IC50 | = | 18900.0 | nM | 4.72 | Inhibitory activity against dihydrofolate reductase in rat. | 7490723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490723 | 10.1021/jm00024a001 | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine