Compound Detail
CHEMBL379196
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Basic Information
| ChEMBL ID | CHEMBL379196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSRQARFUSCWMHO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
400.2
MW (Da)
3.41
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 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 | 5.525 | 1000.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 6.0 | 5.9 | 1000.0 | 2 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | Ki | 4.19 | 4.19 | 64000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of TCPTP | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of PTPN1 | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 1600.0 | nM | 5.8 | Inhibition of PTPN2 | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 9000.0 | nM | 5.05 | Inhibition of PTP1B | 16806920 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 64000.0 | nM | 4.19 | Inhibition of CD45 | 16806920 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 64000.0 | nM | 4.19 | Inhibition of PTPRC | 19810703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Unchecked | 1 |
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine