Compound Detail
CHEMBL5805028
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
CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)c6cc(F)ccc6F)c5)cc34)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5805028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCWMMTANKPXNAA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
4.55
ALogP
7
HBA
3
HBD
119.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
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 | 7.51 | 7.51 | 31.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.17 | 7.17 | 67.0 | 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 | = | 31.0 | nM | 7.51 | Wnt activity assay: Reporter cell lines were generated by stably transducing cel... | - |
| Unchecked | IC50 | = | 67.0 | nM | 7.17 | Inhibition of fibrosis: Each compound was dissolved in DMSO as a 10 mM stock and... | - |
Data from ChEMBL 36 via Core Engine