Compound Detail
CHEMBL4084955
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 | CHEMBL4084955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KURWIPZCULOEEY-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
2.62
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
EC50 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Nuclear factor of activated T-cells, cytoplasmic 1 CHEMBL3876 | EC50 | 5.53 | 5.53 | 2980.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.04 | 5.04 | 9230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1.0 | nM | 9.0 | Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in bacul... | 28408219 |
| Nuclear factor of activated T-cells, cytoplasmic 1 | EC50 | = | 2980.0 | nM | 5.53 | Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus... | 28408219 |
| Glycogen synthase kinase-3 beta | IC50 | = | 9230.0 | nM | 5.04 | Inhibition of full-length recombinant human His-tagged GSK3B recombinant in bacu... | 28408219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Ribosomal protein S6 kinase alpha-3 | 4 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Unchecked | 4 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Serine/threonine-protein kinase MARK2 | 4 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Dual specificity mitogen-activated protein kinase kinase 1 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | MAP/microtubule affinity-regulating kinase 4 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Tyrosine-protein kinase JAK1 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Serine/threonine-protein kinase WNK2 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Serine/threonine-protein kinase WNK1 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Ribosomal protein S6 kinase alpha-1 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | MAP/microtubule affinity-regulating kinase 3 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Aurora kinase A | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Dual specificity mitogen-activated protein kinase kinase 2 | 3 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Tyrosine-protein kinase Fer | 2 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Tyrosine-protein kinase ABL1 | 2 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | STE20-like serine/threonine-protein kinase | 2 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Tudor domain-containing protein 7 | 2 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 2 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | SRSF protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine