Compound Detail
CHEMBL3669627
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CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3c2ncn3C)C1(C)C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3669627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFZVTVDOHCMWOO-QGZVFWFLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
2.89
ALogP
8
HBA
3
HBD
119.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
EC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.85 | 6.94 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 2.5 | nM | 8.6 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 14.0 | nM | 7.85 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 940.0 | nM | 6.03 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine