Compound Detail
CHEMBL4764569
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4764569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJCQXJYDHWQOCO-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
2.50
ALogP
7
HBA
2
HBD
120.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.0
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.68 | 6.445 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | EC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
| Dual specificity protein kinase CLK3 | EC50 | = | 37.0 | nM | 7.43 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
| Unchecked | EC50 | = | 210.0 | nM | 6.68 | Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera... | - |
| Proto-oncogene Wnt-1 | IC50 | = | 210.0 | nM | 6.68 | Wnt activity assay: Reporter cell lines were generated by stably transducing cel... | - |
| Unchecked | EC50 | = | 615.5 | nM | 6.21 | Inhibition of IL1-beta induced MMP3 expression levels in human chondrocytes asse... | - |
Data from ChEMBL 36 via Core Engine