Compound Detail
CHEMBL4209949
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C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C(=O)C(=O)C(=C1C)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL4209949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPQYBXIJDMJNHB-MKQAHOERSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
920.0
MW (Da)
1.49
ALogP
17
HBA
6
HBD
271.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28240909 | 10.1021/acs.jnatprod.7b00006 | Unchecked | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine