Compound Detail
CHEMBL214378
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Basic Information
| ChEMBL ID | CHEMBL214378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTBNMQSAVVUNTG-UHFFFAOYSA-N |
3
Targets
10
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
477.3
MW (Da)
3.99
ALogP
6
HBA
3
HBD
125.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.17
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 6.17 | 6.13 | 680.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 6.17 | 6.13 | 680.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | Ki | 4.26 | 4.26 | 55000.0 | 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 | = | 680.0 | nM | 6.17 | Inhibition of TCPTP | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 680.0 | nM | 6.17 | Inhibition of PTPN1 | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 820.0 | nM | 6.09 | Inhibition of PTP1B | 18579388 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 820.0 | nM | 6.09 | Inhibition of PTP1B | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 820.0 | nM | 6.09 | Inhibition of PTPN2 | 19810703 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 55000.0 | nM | 4.26 | Inhibition of CD45 | 16806920 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 55000.0 | nM | 4.26 | 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 |
| 18579388 | 10.1016/j.bmc.2008.06.014 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 18579388 | 10.1016/j.bmc.2008.06.014 | Receptor-type tyrosine-protein phosphatase F | 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