Compound Detail
CHEMBL2029618
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Basic Information
| ChEMBL ID | CHEMBL2029618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTRPTVLTUWVLKO-CYBMUJFWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.64
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of starfish oocyte CDK1/cyclin B using [gamma 33P]ATP after 30 mins b... | 22352892 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by s... | 22352892 |
| Glycogen synthase kinase-3 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of porcine brain GSK3alpha/beta using GS1 as substrate | 22352892 |
| Dual specificity protein kinase CLK1 | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli us... | 22352892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22352892 | 10.1021/jm201727w | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 22352892 | 10.1021/jm201727w | Glycogen synthase kinase-3 | 1 |
| 22352892 | 10.1021/jm201727w | Dual specificity protein kinase CLK1 | 1 |
| 22352892 | 10.1021/jm201727w | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 22352892 | 10.1021/jm201727w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine