Compound Detail
CHEMBL2029515
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Basic Information
| ChEMBL ID | CHEMBL2029515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBYMHLPIWBXKKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.39
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 3.4 | 3.4 | 402000.0 | 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 | = | 23600.0 | nM | 4.63 | Inhibition of DYRK1A (unknown origin) by [33P]-ATP filter binding kinase assay | 27736065 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 402000.0 | nM | 3.4 | Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins ... | 22591730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27736065 | 10.1021/acs.jmedchem.6b01086 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 22591730 | 10.1016/j.bmcl.2012.04.080 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine