Compound Detail
CHEMBL3669580
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CN1CCN(C(=O)N2Cc3c(n[nH]c3Nc3nc(Cl)nc4ccsc34)C2(C)C)[C@@H](Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL3669580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBEYISOSYNXIMK-KRWDZBQOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.1
MW (Da)
4.84
ALogP
7
HBA
2
HBD
93.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | Ki | = | 11.0 | nM | 7.96 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
| Serine/threonine-protein kinase PAK 4 | EC50 | = | 16.0 | nM | 7.8 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability t... | - |
Data from ChEMBL 36 via Core Engine