Compound Detail
CHEMBL275309
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Basic Information
| ChEMBL ID | CHEMBL275309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLPRLGAHKHCVEW-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
0.85
ALogP
9
HBA
6
HBD
206.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.2
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 9.2 | 8.45 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.63 | nM | 9.2 | Compound was evaluated for inhibitory effect on growth of L1210 cells at IC50 (n... | 2423690 |
| L1210 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of cell growth of murine L-1210 cells | 3373490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022805 | 10.1021/jm950553y | Mus musculus | 16 |
| 2423690 | 10.1021/jm00156a029 | L1210 | 4 |
| 2423690 | 10.1021/jm00156a029 | P388 | 4 |
| 8277497 | 10.1021/jm00078a004 | Dihydrofolate reductase | 2 |
| 2423690 | 10.1021/jm00156a029 | Dihydrofolate reductase | 1 |
| 3373490 | 10.1021/jm00401a023 | L1210 | 1 |
| 8277497 | 10.1021/jm00078a004 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 8277497 | 10.1021/jm00078a004 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine