Compound Detail
CHEMBL4067013
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Basic Information
| ChEMBL ID | CHEMBL4067013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYFRJAWGLQYBTJ-MSOLQXFVSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
4.44
ALogP
8
HBA
4
HBD
122.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
EC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | EC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... | 28049589 |
| Dual specificity protein kinase CLK1 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-... | 28049589 |
| Dual specificity protein kinase CLK4 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... | 28049589 |
| Dual specificity protein kinase CLK1 | EC50 | = | 17500.0 | nM | 4.76 | Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as ... | 28049589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK1 | 2 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK4 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK3 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK2 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | CDK4/Cyclin D3 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | CDK6/cyclin D3 | 1 |
Data from ChEMBL 36 via Core Engine