Compound Detail
CHEMBL3669615
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Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1
Basic Information
| ChEMBL ID | CHEMBL3669615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAIDEVNNUBHVBO-QAPCUYQASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.78
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.83
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 6.83 | 6.83 | 147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | Ki | = | 24.0 | nM | 7.62 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 147.0 | nM | 6.83 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine