Compound Detail
CHEMBL2441126
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O=C1C(Br)=C(NCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)C(=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2441126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJOIWTZTFSCSHC-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
454.2
MW (Da)
2.95
ALogP
8
HBA
1
HBD
120.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24530030 | 10.1016/j.bmc.2014.01.033 | NON-PROTEIN TARGET | 2 |
| 24074878 | 10.1016/j.bmc.2013.08.055 | Trypanosoma cruzi | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | V79 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | L929 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | PBMC | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | MX1 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | MCF7 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | DU-145 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | PC-3 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | HCT-116 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | SF-295 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | MDA-MB-435 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | OVCAR-8 | 1 |
| 24530030 | 10.1016/j.bmc.2014.01.033 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine