Compound Detail
CHEMBL525977
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H]2O[C@H]3[C@H](O[C@@H](CCC)CCCCCCC(=O)CCC(=O)OC[C@@H](O2)[C@H]1OC(=O)/C=C/c1ccccc1)O[C@H](C)[C@H](OC(C)=O)[C@@H]3OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL525977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYGAQLGOMHZMDL-RTCKPQKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
887.0
MW (Da)
5.57
ALogP
17
HBA
0
HBD
211.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 15800.0 | nM | 4.8 | Cytotoxicity against human A2780 cells | 15844934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15844934 | 10.1021/np049629w | A2780 | 1 |
Data from ChEMBL 36 via Core Engine