Compound Detail
CHEMBL287240
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Basic Information
| ChEMBL ID | CHEMBL287240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBMNCAYDFVMEHU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.97
ALogP
9
HBA
2
HBD
121.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL5457 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 12100.0 | nM | 4.92 | Inhibitory concentration was evaluated against CCRF-CEM Dihydrofolate reductase ... | 9554874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554874 | 10.1021/jm9705420 | Dihydrofolate reductase | 3 |
| 9554874 | 10.1021/jm9705420 | Unchecked | 3 |
| 9554874 | 10.1021/jm9705420 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine