Compound Detail
CHEMBL1964948
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CN(C)CCCN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
Basic Information
| ChEMBL ID | CHEMBL1964948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDLLVDABAMKMLD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
5.99
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 5 | Ki | = | 25.12 | nM | 7.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 14 | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 8 | Ki | = | 398.11 | nM | 6.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Leucine-rich repeat serine/threonine-protein kinase 2 | Ki | = | 501.19 | nM | 6.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | Ki | = | 1584.89 | nM | 5.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine