Compound Detail
CHEMBL3092234
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CC1=C(COC(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)c5ccc(Cl)cc5)C=CC(=O)[C@]6(COC(=O)c5ccc(Cl)cc5)[C@H]4CC[C@]23C)C1
Basic Information
| ChEMBL ID | CHEMBL3092234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOKSIYPZIHJYEN-MPKNVPCUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
902.3
MW (Da)
9.88
ALogP
10
HBA
0
HBD
134.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24273633 | 10.1021/ml400267q | NON-PROTEIN TARGET | 2 |
| 24273633 | 10.1021/ml400267q | MRC5 | 1 |
| 24273633 | 10.1021/ml400267q | SK-MEL-28 | 1 |
| 24273633 | 10.1021/ml400267q | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine