Compound Detail
CHEMBL4549565
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C/C1=C\C(=O)OC[C@@]23CC[C@](C)(O)[C@H]4C[C@@]5(O)[C@@H](C[C@@H](OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC1)[C@]25C)O[C@H]43
Basic Information
| ChEMBL ID | CHEMBL4549565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOCCUNQTUJJNLV-RGKUESPRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
2.13
ALogP
9
HBA
3
HBD
131.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30457333 | 10.1021/acs.jnatprod.8b00823 | HCC70 | 1 |
| 30457333 | 10.1021/acs.jnatprod.8b00823 | BT-549 | 1 |
| 30457333 | 10.1021/acs.jnatprod.8b00823 | MDA-MB-231 | 1 |
| 30457333 | 10.1021/acs.jnatprod.8b00823 | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine