Compound Detail
CHEMBL139196
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Basic Information
| ChEMBL ID | CHEMBL139196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZDQHYCOGCUVHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.74
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 4.92 | 4.92 | 12000.0 | 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 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant Protein-tyrosine phosphatase 1B. | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 12000.0 | nM | 4.92 | Inhibition of T cell protein tyrosine phosphatase (TC-PTP) at pH 7.0 | 12238924 |
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 |
Data from ChEMBL 36 via Core Engine