Compound Detail
CHEMBL541290
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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)N(C)c3ccccc3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O.Cl
Basic Information
| ChEMBL ID | CHEMBL541290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQTVCOAPNUWJII-WCSCJQKSSA-N |
| Parent Compound | CHEMBL1190623 |
| Active Moiety | CHEMBL1190623 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
4.53
ALogP
9
HBA
1
HBD
89.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8389875 | 10.1021/jm00064a002 | P388 | 1 |
| 8389875 | 10.1021/jm00064a002 | Tubulin | 1 |
| 8389875 | 10.1021/jm00064a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine