Compound Detail
CHEMBL389223
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Basic Information
| ChEMBL ID | CHEMBL389223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVENHPBTGUGZIY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.37
ALogP
7
HBA
0
HBD
82.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.12 | 6.97 | 75.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 75.0 | nM | 7.12 | Antiproliferative effect against human Molt4/C8 cells after 3 days | 17419607 |
| CCRF-CEM | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative effect against human CEM cells after 3 days | 17419607 |
| NON-PROTEIN TARGET | IC50 | = | 150.0 | nM | 6.82 | Antiproliferative effect against mouse L210 cells after 2 days | 17419607 |
| FM3A | IC50 | = | 190.0 | nM | 6.72 | Antiproliferative effect against mouse FM3A cells after 2 days | 17419607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17419607 | 10.1021/jm070050f | NON-PROTEIN TARGET | 2 |
| 17419607 | 10.1021/jm070050f | FM3A | 1 |
| 17419607 | 10.1021/jm070050f | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine