Compound Detail
CHEMBL3739772
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CC(C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2
Basic Information
| ChEMBL ID | CHEMBL3739772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLONEJADKVVIOA-VWGYHWLBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
876.0
MW (Da)
-0.30
ALogP
13
HBA
10
HBD
332.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26520842 | 10.1016/j.ejmech.2015.10.012 | NON-PROTEIN TARGET | 1 |
| 26520842 | 10.1016/j.ejmech.2015.10.012 | A549 | 1 |
Data from ChEMBL 36 via Core Engine