Compound Detail
CHEMBL4758175
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Basic Information
| ChEMBL ID | CHEMBL4758175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSWZRKILJFYIRW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
4.95
ALogP
5
HBA
3
HBD
109.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.7
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.7 | 8.11 | 2.0 | 2 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene Wnt-1 | IC50 | = | 1.8 | nM | 8.74 | The screening assay for Wnt activity: Reporter cell lines can be generated by st... | - |
| Unchecked | EC50 | = | 2.0 | nM | 8.7 | Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera... | - |
| Dual specificity protein kinase CLK2 | EC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
| Dual specificity protein kinase CLK3 | EC50 | = | 19.0 | nM | 7.72 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
| Unchecked | EC50 | = | 30.0 | nM | 7.52 | Induction of chondrogenesis in human MSC assessed as incubated for 6 days by rho... | - |
Data from ChEMBL 36 via Core Engine