Compound Detail
CHEMBL3669628
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
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL3669628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVWNMEFWLPAEER-GOSISDBHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
3.54
ALogP
7
HBA
3
HBD
111.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.62
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 2.4 | nM | 8.62 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 170.0 | nM | 6.77 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine