Compound Detail
CHEMBL523126
SECAUBRYENOL Enter ChEMBL ID:
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C=C(CO)[C@@H]1CC[C@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]24C)C[C@]13CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL523126 |
| Name | SECAUBRYENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFCYFLMAPFEZKC-XDPIHHSESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
7.40
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19456120 | 10.1021/np900156k | NON-PROTEIN TARGET | 2 |
| 17190447 | 10.1021/np060273t | MCF7 | 1 |
| 17190447 | 10.1021/np060273t | MDA-MB-231 | 1 |
| 17190447 | 10.1021/np060273t | PC-3 | 1 |
| 17190447 | 10.1021/np060273t | HeLa | 1 |
| 19456120 | 10.1021/np900156k | BT-474 | 1 |
| 19456120 | 10.1021/np900156k | SW-620 | 1 |
| 19456120 | 10.1021/np900156k | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine