Compound Detail
CHEMBL5076419
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Basic Information
| ChEMBL ID | CHEMBL5076419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VILXHPHHLYDHSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
2.08
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PTPN2 (unknown origin) by Mobility shift assay | 35059117 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PTPN1 (unknown origin) by Mobility shift assay | 35059117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35059117 | 10.1021/acsmedchemlett.1c00678 | B16-F10 | 2 |
| 35059117 | 10.1021/acsmedchemlett.1c00678 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 35059117 | 10.1021/acsmedchemlett.1c00678 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine