Compound Detail
CHEMBL342744
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CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL342744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFFZUWQOMXIVFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
3.76
ALogP
12
HBA
4
HBD
200.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 950.0 | nM | 6.02 | Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using s... | 7069726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7069726 | 10.1021/jm00346a026 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine