Compound Detail
CHEMBL4786030
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
CCOC(=O)c1ccc(-c2cnc3c(c2)c(-c2ccc4nonc4c2)cn3-c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4786030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUGGRVCPCZIVBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
6.08
ALogP
8
HBA
0
HBD
92.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.64 | 5.64 | 2300.0 | 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 | = | 2300.0 | nM | 5.64 | Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubat... | 33210922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33210922 | 10.1021/acs.jmedchem.0c01265 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine