Compound Detail
CHEMBL2425314
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C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2425314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROJJXYQJOILKKA-WHEQSVCYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
648.9
MW (Da)
9.10
ALogP
8
HBA
1
HBD
137.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23973824 | 10.1016/j.ejmech.2013.07.012 | 8505C | 1 |
| 23973824 | 10.1016/j.ejmech.2013.07.012 | NON-PROTEIN TARGET | 1 |
| 23973824 | 10.1016/j.ejmech.2013.07.012 | MCF7 | 1 |
| 23973824 | 10.1016/j.ejmech.2013.07.012 | A549 | 1 |
| 23973824 | 10.1016/j.ejmech.2013.07.012 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine