Compound Detail
CHEMBL3669616
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CC1(C)c2n[nH]c(Nc3ncnc4sccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3669616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUEJJEQMGQCKCW-DOTOQJQBSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
4.47
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.8 | 7.415 | 16.0 | 2 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 6.47 | 6.34 | 340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | Ki | = | 16.0 | nM | 7.8 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 94.0 | nM | 7.03 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 340.0 | nM | 6.47 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 610.0 | nM | 6.21 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine