Compound Detail
CHEMBL3398381
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Cn1c2ccccc2c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3)c21
Basic Information
| ChEMBL ID | CHEMBL3398381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRKBVORQNNFQDI-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
5.26
ALogP
6
HBA
0
HBD
84.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Human immunodeficiency virus 1 | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Human immunodeficiency virus 2 | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | HeLa | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Unchecked | 1 |
| 26498570 | 10.1016/j.ejmech.2015.10.024 | Vero | 1 |
Data from ChEMBL 36 via Core Engine