Compound Detail
CHEMBL4283971
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C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(/Cn3cc(CNC(C)=O)nn3)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4283971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUZCZLYOFNQHTD-CGCNVTRASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
1.67
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006167 | 10.1016/j.ejmech.2018.06.058 | Bel-7402 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | HCT-116 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | PANC-1 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | A549 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine