Compound Detail
CHEMBL138951
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 | CHEMBL138951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNUOCYUTEIKZFI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.03
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 6.0 | 5.0167 | 1000.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 1000.0 | nM | 6.0 | Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP... | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 14000.0 | nM | 4.85 | Inhibition of human recombinant Protein-tyrosine phosphatase 1B. | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 24000.0 | nM | 4.62 | Inhibition of T cell protein tyrosine phosphatase (TC-PTP) at pH 7.0 | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 63095.73 | nM | 4.2 | Inhibition of PTP1B | 19385614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19385614 | 10.1021/jm801444x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine