Compound Detail
CHEMBL191073
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Basic Information
| ChEMBL ID | CHEMBL191073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFLDUQAHROTNP-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.73
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.77 | 5.77 | 1700.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.77 | 5.6 | 1700.0 | 2 |
| MOLT-4 CHEMBL614177 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.33 | 5.33 | 4700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 1700.0 | nM | 5.77 | Concentration required to inhibit human T-lymphoblast Molt4/C8 cell line prolife... | 16005627 |
| CCRF-CEM | IC50 | = | 1700.0 | nM | 5.77 | Concentration required to inhibit human T-lymphoblast CEM cell line proliferatio... | 16005627 |
| NON-PROTEIN TARGET | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative effect against human Molt4/C8 cells after 3 days | 17419607 |
| CCRF-CEM | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative effect against human CEM cells after 3 days | 17419607 |
| L1210 | IC50 | = | 3700.0 | nM | 5.43 | Concentration required to inhibit murine leukemia L1210 cell line proliferation | 16005627 |
| NON-PROTEIN TARGET | IC50 | = | 3700.0 | nM | 5.43 | Antiproliferative effect against mouse L210 cells after 2 days | 17419607 |
| FM3A | IC50 | = | 4700.0 | nM | 5.33 | Concentration required to inhibit murine mammary carcinoma FM3A cell line prolif... | 16005627 |
| FM3A | IC50 | = | 4700.0 | nM | 5.33 | 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 |
| 16005627 | 10.1016/j.bmcl.2005.06.022 | L1210 | 1 |
| 16005627 | 10.1016/j.bmcl.2005.06.022 | FM3A | 1 |
| 16005627 | 10.1016/j.bmcl.2005.06.022 | MOLT-4 | 1 |
| 16005627 | 10.1016/j.bmcl.2005.06.022 | CCRF-CEM | 1 |
| 17419607 | 10.1021/jm070050f | FM3A | 1 |
| 17419607 | 10.1021/jm070050f | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine