Compound Detail
CHEMBL138659
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 | CHEMBL138659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRZVFEWCOSKVDT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
3.93
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.59 | 4.585 | 25704.0 | 2 |
| Receptor-type tyrosine-protein phosphatase alpha CHEMBL3918 | Ki | 4.03 | 4.03 | 93000.0 | 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 | = | 25703.96 | nM | 4.59 | Binding affinity to human recombinant PTP1B | 20452766 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 26000.0 | nM | 4.58 | Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP... | 12238924 |
| Receptor-type tyrosine-protein phosphatase alpha | Ki | = | 93000.0 | nM | 4.03 | Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), u... | 12238924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase alpha | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 16230012 | 10.1016/j.bmcl.2005.08.078 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20452766 | 10.1016/j.bmcl.2010.04.033 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine