Compound Detail
CHEMBL5560087
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 | CHEMBL5560087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQBKJBKLUHFEO-UHFFFAOYSA-N |
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
393.1
MW (Da)
5.04
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.4 | 4.4 | 40200.0 | 1 |
| Laforin CHEMBL2311242 | IC50 | 4.22 | 4.22 | 59700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.05 | 4.05 | 89100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.01 | 4.01 | 98400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 40200.0 | nM | 4.4 | Inhibition of PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichi... | 38768084 |
| Laforin | IC50 | = | 59700.0 | nM | 4.22 | Inhibition of laforin (1 to 331 residues) (unknown origin) expressed in Escheric... | 38768084 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 89100.0 | nM | 4.05 | Inhibition of TCPTP (1 to 387 residues)(unknown origin) expressed in Escherichia... | 38768084 |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 98400.0 | nM | 4.01 | Inhibition of LYP (1 to 294 residues)(unknown origin) expressed in Escherichia c... | 38768084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Laforin | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase 10 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14A | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 22 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine