Compound Detail
CHEMBL158478
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Basic Information
| ChEMBL ID | CHEMBL158478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIVPENRIUTZXCZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
-0.64
ALogP
10
HBA
5
HBD
199.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL4564 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 180.0 | nM | 6.75 | Compound was tested for its ability to inhibit purified dihydrofolate reductase(... | 2871191 |
| L1210 | IC50 | = | 440.0 | nM | 6.36 | Compound was tested for its ability to inhibit growth of L1210 mouse leukemia ce... | 2871191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2871191 | 10.1021/jm00155a012 | Dihydrofolate reductase | 1 |
| 2871191 | 10.1021/jm00155a012 | Folylpolyglutamate synthase, mitochondrial | 1 |
| 2871191 | 10.1021/jm00155a012 | L1210 | 1 |
| 2871191 | 10.1021/jm00155a012 | L1210 ( R81) | 1 |
Data from ChEMBL 36 via Core Engine