Compound Detail
CHEMBL3350507
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CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL3350507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAESHVSUHUXPHO-UQIOCGSYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
767.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CML/BC CHEMBL614800 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| AMML CHEMBL614270 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Glioblastoma cell line CHEMBL614503 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| NSCLC CHEMBL612554 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Small cell lung cancer cell line CHEMBL612561 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CML/BC | IC50 | = | 250.0 | nM | 6.6 | Compound was tested for the inhibition of CML/BC(chronic myeloid leukemia, blast... | 3761322 |
| HL-60 | IC50 | = | 260.0 | nM | 6.58 | Compound was tested for the inhibition of human HL60 Leukemia | 3761322 |
| AMML | IC50 | = | 1350.0 | nM | 5.87 | Compound was tested for the inhibition of AMML (acute myelomonocytic leukemia) | 3761322 |
| Glioblastoma cell line | IC50 | = | 27000.0 | nM | 4.57 | Compound was tested for the inhibition of glioblastoma | 3761322 |
| NSCLC | IC50 | = | 34000.0 | nM | 4.47 | Compound was tested for the inhibition of non- small cell lung cancer | 3761322 |
| Small cell lung cancer cell line | IC50 | = | 38000.0 | nM | 4.42 | Compound was tested for the inhibition of small cell lung cancer | 3761322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3761322 | 10.1021/jm00160a041 | AMML | 1 |
| 3761322 | 10.1021/jm00160a041 | CML/BC | 1 |
| 3761322 | 10.1021/jm00160a041 | HL-60 | 1 |
| 3761322 | 10.1021/jm00160a041 | Glioblastoma cell line | 1 |
| 3761322 | 10.1021/jm00160a041 | Small cell lung cancer cell line | 1 |
| 3761322 | 10.1021/jm00160a041 | NSCLC | 1 |
Data from ChEMBL 36 via Core Engine