Compound Detail
CHEMBL3349527
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COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(=O)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3349527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGQKWUIVTHXXKG-QSZBDMDLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
620.7
MW (Da)
3.01
ALogP
9
HBA
2
HBD
149.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00182-5 | KB | 2 |
| - | 10.1016/0960-894X(96)00182-5 | B16-F10 | 1 |
| - | 10.1016/0960-894X(96)00182-5 | DA-3 cell line | 1 |
| - | 10.1016/0960-894X(96)00182-5 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine