Compound Detail
CHEMBL3621998
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O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])CO2
Basic Information
| ChEMBL ID | CHEMBL3621998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTHJEOHGKOHMDL-LSDHHAIUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
2.78
ALogP
5
HBA
0
HBD
86.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00371C | HCT-116 | 1 |
| - | 10.1039/C4MD00371C | HL-60 | 1 |
| - | 10.1039/C4MD00371C | OVCAR-8 | 1 |
| - | 10.1039/C4MD00371C | SF-295 | 1 |
| - | 10.1039/C4MD00371C | PBMC | 1 |
Data from ChEMBL 36 via Core Engine