Compound Detail
CHEMBL3669630
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CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3669630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYQDJZPXBBVSOO-GOSISDBHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.22
ALogP
7
HBA
3
HBD
102.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.72
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 19.0 | nM | 7.72 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 22.0 | nM | 7.66 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine