Compound Detail
CHEMBL4789128
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CC(=O)O[C@H]1C[C@@]23O[C@@H]4OC(=O)C=C4[C@@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](O)CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL4789128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMBWMBBKZOZBHT-JNMVFPLHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.51
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32645647 | 10.1016/j.ejmech.2020.112520 | CCRF-CEM | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | MCF7 | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | HeLa | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | BJ | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine