Compound Detail
CHEMBL1098845
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 | CHEMBL1098845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJUGOOPECIZKFV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
7.89
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.13 | 5.13 | 7490.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 5080.0 | nM | 5.29 | Inhibition of CDC25B | 20363629 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 7490.0 | nM | 5.13 | Inhibition of PTP1B | 20363629 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 18700.0 | nM | 4.73 | Inhibition of TCPTP | 20363629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363629 | 10.1016/j.bmcl.2010.03.040 | M-phase inducer phosphatase 2 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine