Compound Detail
CHEMBL6025254
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O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL6025254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGFURJWQBPWTLA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
4.71
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.02 | 7.02 | 96.0 | 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 | = | 2.0 | nM | 8.7 | DYRK1A activity assay: SH-SY5Y cells are cultured in DMEM/F-12 medium supplement... | - |
| Proto-oncogene Wnt-1 | IC50 | = | 23.0 | nM | 7.64 | Wnt activity assay: Reporter cell lines were generated by stably transducing cel... | - |
| Unchecked | IC50 | = | 96.0 | nM | 7.02 | Inhibition of fibrosis: Each compound was dissolved in DMSO as a 10 mM stock and... | - |
Data from ChEMBL 36 via Core Engine