Compound Detail
CHEMBL4534646
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CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL4534646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANFVDRDABBXBIT-RNXRRSNLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
3.76
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117522 | 10.1021/acs.jnatprod.9b00042 | HL-60 | 1 |
| 31117522 | 10.1021/acs.jnatprod.9b00042 | A549 | 1 |
Data from ChEMBL 36 via Core Engine