Compound Detail
CHEMBL177796
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Basic Information
| ChEMBL ID | CHEMBL177796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYFMWZHKVDIVCN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.41
ALogP
5
HBA
3
HBD
89.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2329 | IC50 | 6.48 | 5.9833 | 330.0 | 3 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 330.0 | nM | 6.48 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Escher... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 1390.0 | nM | 5.86 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candid... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 2460.0 | nM | 5.61 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Mycoba... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 5900.0 | nM | 5.23 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat | 14695838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695838 | 10.1021/jm030931w | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine