Compound Detail
CHEMBL3350556
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CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)O[C@@H]1CO.CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)O[C@@H]1CO
Basic Information
| ChEMBL ID | CHEMBL3350556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTBOLXNOYGZEMA-JTKXNMDASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1112.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| P388CPT5 CHEMBL614224 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 360.0 | nM | 6.44 | Inhibitory concentration is tested in HIV-1 Lai-infected CEM-SS cells | 9572888 |
| P388CPT5 | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity measured against P388CPT5 cells resistant to Topoisom... | 9572888 |
| Protein kinase C (PKC) | IC50 | = | 28800.0 | nM | 4.54 | Inhibition of Protein kinase C | 9572888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572888 | 10.1021/jm970843+ | CEM-SS | 2 |
| 9572888 | 10.1021/jm970843+ | Protein kinase C (PKC) | 1 |
| 9572888 | 10.1021/jm970843+ | P388 | 1 |
| 9572888 | 10.1021/jm970843+ | P388CPT5 | 1 |
| 9572888 | 10.1021/jm970843+ | Bacillus cereus | 1 |
| 9572888 | 10.1021/jm970843+ | DNA topoisomerase 1 | 1 |
| 9572888 | 10.1021/jm970843+ | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine