Compound Detail
CHEMBL4088144
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Basic Information
| ChEMBL ID | CHEMBL4088144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPJBCKSRGYPABG-HOTGVXAUSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.49
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
EC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | EC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... | 28049589 |
| Dual specificity protein kinase CLK1 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-... | 28049589 |
| Dual specificity protein kinase CLK4 | IC50 | = | 86.0 | nM | 7.07 | Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... | 28049589 |
| Dual specificity protein kinase CLK1 | EC50 | = | 11700.0 | nM | 4.93 | Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as ... | 28049589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5058564 | U2OS | 8 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK1 | 3 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Unchecked | 2 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Aurora kinase B | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Tyrosine-protein kinase JAK2 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Epidermal growth factor receptor | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Serine/threonine-protein kinase B-raf | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK4 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | ALK tyrosine kinase receptor | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Tyrosine-protein kinase ABL1 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | CDK4/Cyclin D3 | 1 |
| 28049589 | 10.1016/j.bmcl.2016.12.056 | Dual specificity protein kinase CLK3 | 1 |
Data from ChEMBL 36 via Core Engine