Compound Detail
CHEMBL242428
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CCCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL242428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWOYTFHYZDNSHZ-KOLYYURTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
4.95
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783135 | 10.1021/jm00012a003 | Tubulin beta chain | 2 |
| 7783135 | 10.1021/jm00012a003 | HOP-62 | 1 |
| 7783135 | 10.1021/jm00012a003 | HCT-116 | 1 |
| 7783135 | 10.1021/jm00012a003 | SF-539 | 1 |
| 7783135 | 10.1021/jm00012a003 | UACC-62 | 1 |
| 7783135 | 10.1021/jm00012a003 | OVCAR-3 | 1 |
| 7783135 | 10.1021/jm00012a003 | SN12C | 1 |
| 7783135 | 10.1021/jm00012a003 | DU-145 | 1 |
| 7783135 | 10.1021/jm00012a003 | MDA-MB-435 | 1 |
| 7783135 | 10.1021/jm00012a003 | Panel (Carcinoma cell lines) | 1 |
| 17696419 | 10.1021/jm070405v | DU-145 | 1 |
| 17696419 | 10.1021/jm070405v | MDA-MB-231 | 1 |
| 17696419 | 10.1021/jm070405v | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine