Compound Detail
CHEMBL406356
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CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCCCCCCCCCCCCNC(=O)CCC(NC(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL406356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUMMWHAIZGSLEH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1073.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL4564 | Ki | 10.74 | 8.705 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 0.018 | nM | 10.74 | Inhibitory constant for murine Wild-type dihydrofolate reductase (DHFR) | 12825924 |
| Dihydrofolate reductase | Ki | = | 212.0 | nM | 6.67 | Inhibitory constant for F31A/F34A murine dihydrofolate reductase (DHFR) | 12825924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825924 | 10.1021/jm034057i | Dihydrofolate reductase | 5 |
Data from ChEMBL 36 via Core Engine