Compound Detail
CHEMBL444160
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 | CHEMBL444160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHPIJMUNSMWWAA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
2.14
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.43 | 4.43 | 36700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of NF-kappaB activity in TNF-alpha stimulated human HEK-293/NF-kB-luc... | 24467387 |
| Glycogen synthase kinase-3 beta | IC50 | = | 6800.0 | nM | 5.17 | Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-cate... | 25905468 |
| SW480 | IC50 | = | 17400.0 | nM | 4.76 | Cytotoxicity against Wnt-independent human SW480 cells assessed as cell viabilit... | 25905468 |
| HCT-116 | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against Wnt-dependent human HCT116 cells assessed as cell viability... | 25905468 |
| HEK293 | IC50 | = | 36700.0 | nM | 4.43 | Cytotoxicity against HEK293 cells assessed as cell viability after 24 hrs by flu... | 25905468 |
Literature References
Data from ChEMBL 36 via Core Engine