Compound Detail
CHEMBL50825
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Basic Information
| ChEMBL ID | CHEMBL50825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPOBKFJTEISBEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
6.38
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... | 3820217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine