Compound Detail
CHEMBL1988769
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COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)cc(C)c5o4)c(F)c3)c3c(N)ncnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL1988769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMSXWHFOVKIEKR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
566.0
MW (Da)
6.21
ALogP
10
HBA
2
HBD
126.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 7.943 | nM | 8.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine