Compound Detail
CHEMBL3612413
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC(Br)(Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL3612413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STSQHJPLKHTISE-QRARIYCASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
640.5
MW (Da)
7.81
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26177446 | 10.1016/j.ejmech.2015.07.004 | NON-PROTEIN TARGET | 1 |
| 26177446 | 10.1016/j.ejmech.2015.07.004 | 8505C | 1 |
| 26177446 | 10.1016/j.ejmech.2015.07.004 | A549 | 1 |
| 26177446 | 10.1016/j.ejmech.2015.07.004 | HT-29 | 1 |
| 26177446 | 10.1016/j.ejmech.2015.07.004 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine