Compound Detail
CHEMBL1992195
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CCS(=O)(=O)c1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)c(OC)cc3-4)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1992195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXEYVJSUGZZKCV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.82
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 0.7943 | nM | 9.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| High affinity nerve growth factor receptor | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine