Compound Detail
CHEMBL229563
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C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL229563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCDQFROEGGNAER-VYFOYESCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.8
MW (Da)
8.25
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17559265 | 10.1021/np070045e | Neutrophil | 1 |
| 11678649 | 10.1021/np010217m | MCF7 | 1 |
| 11678649 | 10.1021/np010217m | TK-10 | 1 |
| 11678649 | 10.1021/np010217m | UACC-62 | 1 |
| 11678649 | 10.1021/np010217m | NCI-H460 | 1 |
| 11678649 | 10.1021/np010217m | SF-268 | 1 |
| 11678649 | 10.1021/np010217m | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine