Compound Detail
CHEMBL213758
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 | CHEMBL213758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVDWLRCTJUXCCB-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
357.2
MW (Da)
3.34
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 6.5 | 5.9633 | 320.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.89 | 5.63 | 1300.0 | 3 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 320.0 | nM | 6.5 | Inhibition of TCPTP | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant TCPTP | 17705360 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 1300.0 | nM | 5.89 | Inhibition of PTPN1 | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of PTP1B | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of human recombinant PTP1B | 17705360 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of PTPN2 | 19810703 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 26000.0 | nM | 4.58 | Inhibition of CD45 | 16806920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17705360 | 10.1021/jm0702478 | Unchecked | 3 |
| 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 |
| 17705360 | 10.1021/jm0702478 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 17705360 | 10.1021/jm0702478 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 17705360 | 10.1021/jm0702478 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 17705360 | 10.1021/jm0702478 | 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