Compound Detail
CHEMBL1979773
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CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
Basic Information
| ChEMBL ID | CHEMBL1979773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DADQIQQXJSXLAV-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.00
ALogP
5
HBA
3
HBD
105.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine