Compound Detail
CHEMBL2401759
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 | CHEMBL2401759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSEYXHGXWGGHCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
3.30
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 14400.0 | nM | 4.84 | Cytotoxicity against human HCT116 cells assessed as cell viability after 48 hrs ... | 23771043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 3 |
Data from ChEMBL 36 via Core Engine