Compound Detail
CHEMBL5891191
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Basic Information
| ChEMBL ID | CHEMBL5891191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRFQUQSHTMRTPA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.23
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.79 | 6.79 | 163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 15.0 | nM | 7.82 | DYRK1A activity assay: SH-SY5Y cells are cultured in DMEM/F-12 medium supplement... | - |
| Proto-oncogene Wnt-1 | IC50 | = | 69.0 | nM | 7.16 | Wnt activity assay: Reporter cell lines were generated by stably transducing cel... | - |
| Unchecked | IC50 | = | 163.0 | nM | 6.79 | Inhibition of fibrosis: Each compound was dissolved in DMSO as a 10 mM stock and... | - |
Data from ChEMBL 36 via Core Engine