Compound Detail
CHEMBL399850
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[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL399850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLWQSYCQLSXLDJ-YXZULKJRSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
285.2
MW (Da)
-1.91
ALogP
8
HBA
4
HBD
173.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260677 | 10.1021/jm801224t | NON-PROTEIN TARGET | 8 |
| 19260677 | 10.1021/jm801224t | MCF7 | 2 |
| 18189347 | 10.1021/jm7010673 | Plasmodium falciparum | 1 |
| 18189347 | 10.1021/jm7010673 | CHO | 1 |
| 19260677 | 10.1021/jm801224t | OCI-AML2 | 1 |
| 19260677 | 10.1021/jm801224t | OVCAR-4 | 1 |
| 19260677 | 10.1021/jm801224t | COLO 205 | 1 |
| 19260677 | 10.1021/jm801224t | ADMET | 1 |
| 19260677 | 10.1021/jm801224t | T47D | 1 |
| 19260677 | 10.1021/jm801224t | PC-3 | 1 |
| 19260677 | 10.1021/jm801224t | SNB-19 | 1 |
Data from ChEMBL 36 via Core Engine