Compound Detail
CHEMBL5613929
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
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@@](C)(C(C)=O)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN32)[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL5613929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQXHCZXZUYAHCV-XLTIWBKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
3.60
ALogP
10
HBA
0
HBD
109.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Granta-519 CHEMBL4483240 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Granta-519 | IC50 | = | 0.02 | nM | 10.7 | Cytotoxicity against human Granta-519 cells incubated for 4 days by PrestoBlue r... | 39068862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39068862 | 10.1016/j.ejmech.2024.116709 | Granta-519 | 1 |
Data from ChEMBL 36 via Core Engine