Compound Detail
CHEMBL4794399
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)=O)CC[C@]5(C(=O)NCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4794399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJNHLQCALLXIHY-FSLXGGOMSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
589.9
MW (Da)
7.91
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32956968 | 10.1016/j.ejmech.2020.112815 | A-375 | 1 |
| 32956968 | 10.1016/j.ejmech.2020.112815 | HT-29 | 1 |
| 32956968 | 10.1016/j.ejmech.2020.112815 | MCF7 | 1 |
| 32956968 | 10.1016/j.ejmech.2020.112815 | A2780 | 1 |
| 32956968 | 10.1016/j.ejmech.2020.112815 | FaDu | 1 |
| 32956968 | 10.1016/j.ejmech.2020.112815 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine