Compound Detail
CHEMBL1254540
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
Basic Information
| ChEMBL ID | CHEMBL1254540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YACSEYUCBSJOIQ-KAVGSWPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.14
ALogP
6
HBA
1
HBD
115.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 93000.0 | nM | 4.03 | Antiproliferative activity against human H441 cells assessed as decrease of hexo... | 20638855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20638855 | 10.1016/j.bmc.2010.06.055 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine