Compound Detail
CHEMBL1795735
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O=C(Nc1ccccc1NC(=O)c1ccc(CO[N+](=O)[O-])cc1)c1ccc(CO[N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL1795735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVMPNKAYZAGACT-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
3.61
ALogP
8
HBA
2
HBD
162.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21664138 | 10.1016/j.bmc.2011.05.031 | HCT-116 | 1 |
| 21664138 | 10.1016/j.bmc.2011.05.031 | SW-620 | 1 |
| 21664138 | 10.1016/j.bmc.2011.05.031 | SW480 | 1 |
| 21664138 | 10.1016/j.bmc.2011.05.031 | SK-BR-3 | 1 |
| 21664138 | 10.1016/j.bmc.2011.05.031 | MCF7 | 1 |
| 21664138 | 10.1016/j.bmc.2011.05.031 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine