Compound Detail
CHEMBL460351
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 | CHEMBL460351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APBISRKAAZZLPB-XYOKQWHBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
6.28
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.27 | 5.27 | 5370.0 | 1 |
| Nuclear receptor subfamily 0 group B member 2 CHEMBL5603 | IC50 | 5.1 | 5.1 | 8000.0 | 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 | = | 5370.0 | nM | 5.27 | Inhibition of SHP2 overexpressed in human KG1 cells | 18759424 |
| Nuclear receptor subfamily 0 group B member 2 | IC50 | = | 8000.0 | nM | 5.1 | Displacement of [5,5'-3H2]AHPN from human recombinant GST-SHP by liquid scintill... | 18759424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18759424 | 10.1021/jm800456k | NON-PROTEIN TARGET | 4 |
| 18759424 | 10.1021/jm800456k | KG-1 | 3 |
| 18759424 | 10.1021/jm800456k | DU-145 | 2 |
| 18759424 | 10.1021/jm800456k | MDA-MB-231 | 2 |
| 18759424 | 10.1021/jm800456k | Nuclear receptor subfamily 0 group B member 2 | 2 |
| 18759424 | 10.1021/jm800456k | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine