Compound Detail
CHEMBL7575
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Basic Information
| ChEMBL ID | CHEMBL7575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXSQITDFOJPSSK-KBXRYBNXSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.84
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.05 | 5.05 | 8830.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.0 | 4.755 | 10000.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.47 | 4.47 | 33800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 8830.0 | nM | 5.05 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 10000.0 | nM | 5.0 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| Homo sapiens | IC50 | = | 30800.0 | nM | 4.51 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| L1210 | IC50 | = | 33800.0 | nM | 4.47 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27267003 | 10.1016/j.ejmech.2016.05.040 | No relevant target | 4 |
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
Data from ChEMBL 36 via Core Engine