Compound Detail
CHEMBL3589673
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Basic Information
| ChEMBL ID | CHEMBL3589673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWICEQLMDWKZGQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.7
MW (Da)
4.23
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.58 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS pe... | 25730262 |
| Dual specificity protein kinase CLK1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS pept... | 25730262 |
| Cyclin-dependent kinase 9 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide... | 25730262 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of pig CK1 delta/epsilon using RRKHAAIGpSAYSITA as substrate after 30... | 25730262 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of pig brain GSK3 using GS-1 peptide as substrate after 30 mins by sc... | 25730262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25730262 | 10.1021/jm501994d | Unchecked | 3 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 2 | 1 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 5 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 9 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK1 | 1 |
Data from ChEMBL 36 via Core Engine