Compound Detail
CHEMBL5619195
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 | CHEMBL5619195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVVNHIFLGPWASE-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.69
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.55
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 8.41 | 8.41 | 3.9 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.58 | 5.58 | 2651.0 | 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 | = | 2.8 | nM | 8.55 | Inhibition of PTP1B (unknown origin) | 39178726 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of PTPN2 (unknown origin) | 39178726 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human PTPN2 extracted from Escherichia coli BL21 (DE3) by fluoresc... | 39178726 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of full-length human recombinant PTPN2 incubated for 20 mins by mobil... | 39178726 |
| Unchecked | EC50 | = | 2651.0 | nM | 5.58 | Inhibition of PTP1B/PTPN2 (unknown origin) in mouse B16 cells | 39178726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39178726 | 10.1016/j.ejmech.2024.116774 | Tyrosine-protein phosphatase non-receptor type 2 | 3 |
| 39178726 | 10.1016/j.ejmech.2024.116774 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 39178726 | 10.1016/j.ejmech.2024.116774 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine