Compound Detail
CHEMBL463045
JABOROSALACTONE 1 Enter ChEMBL ID:
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CC1=C(C)[C@]2(OC1=O)C(=O)C(C)=C1CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@]13C
Basic Information
| ChEMBL ID | CHEMBL463045 |
| Name | JABOROSALACTONE 1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUXPYRJEVUAXLN-YCEUDUMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.38
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.09 | 5.09 | 8080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 8080.0 | nM | 5.09 | Growth inhibition of mouse Hepa-1c1c7 cells by crystal violet staining | 12027740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12027740 | 10.1021/np0106337 | Unchecked | 2 |
| 12027740 | 10.1021/np0106337 | Quinone oxidoreductase | 2 |
| 12027740 | 10.1021/np0106337 | ADMET | 1 |
| 20438092 | 10.1021/np9006734 | MDA-MB-231 | 1 |
| 20438092 | 10.1021/np9006734 | NON-PROTEIN TARGET | 1 |
| 20438092 | 10.1021/np9006734 | MCF7 | 1 |
| 20438092 | 10.1021/np9006734 | T47D | 1 |
| 20438092 | 10.1021/np9006734 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine