Compound Detail
CHEMBL457073
JABOROSALACTONE P Enter ChEMBL ID:
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CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C
Basic Information
| ChEMBL ID | CHEMBL457073 |
| Name | JABOROSALACTONE P |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUGVQJIZFAUFIH-KVZDTKSGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.01
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12027740 | 10.1021/np0106337 | Mus musculus | 5 |
| 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