Compound Detail
CHEMBL4858291
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 | CHEMBL4858291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWGGNAXZPZHJF-MEDUHNTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.0
MW (Da)
2.78
ALogP
8
HBA
3
HBD
116.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 10.77 | 10.77 | 0.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 0.017 | nM | 10.77 | Inhibition of human SHP2 catalytic activity in human MV4-11 cells | 33780898 |
| MV4-11 | IC50 | = | 0.06 | nM | 10.22 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 33780898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33780898 | 10.1016/j.ejmech.2021.113341 | MV4-11 | 1 |
| 33780898 | 10.1016/j.ejmech.2021.113341 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine