Compound Detail
CHEMBL401759
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 | CHEMBL401759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKDXPKXHVVANIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
3.66
ALogP
5
HBA
2
HBD
107.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against human HL60/TX1000 cells after 72 hrs by MTT assay | 18308566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18308566 | 10.1016/j.bmcl.2008.02.029 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine