Compound Detail
CHEMBL1969834
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O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c1)c1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL1969834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVKRXVXLNOBMGS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
6.38
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Cyclin-dependent kinase 19 CHEMBL6002 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 5.012 | nM | 8.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 12.59 | nM | 7.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 19 | Ki | = | 19.95 | nM | 7.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine