Compound Detail
CHEMBL1682339
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Basic Information
| ChEMBL ID | CHEMBL1682339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBGBSXSIBQRSNM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.80
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.36 | 7.36 | 44.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 6.1 | 6.1 | 791.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.89 | 5.89 | 1298.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | Ki | = | 44.0 | nM | 7.36 | Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate | 21282054 |
| Tyrosine-protein kinase JAK2 | Ki | = | 791.0 | nM | 6.1 | Inhibition of JAK2 after 1 hr using biotinylated PDKtide as substrate | 21282054 |
| Glycogen synthase kinase-3 beta | Ki | = | 1298.0 | nM | 5.89 | Inhibition of GSK3-beta after 1 hr | 21282054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Aurora kinase B | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Epidermal growth factor receptor | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Glycogen synthase kinase-3 beta | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Tyrosine-protein kinase JAK2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Vascular endothelial growth factor receptor 2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase PAK 4 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase pim-1 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine