Compound Detail
CHEMBL1971271
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Basic Information
| ChEMBL ID | CHEMBL1971271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNFUMIPEQQICKC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.70
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.2 | 8.0 | 6.3 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.1 | 5.75 | 794.3 | 2 |
| Aurora kinase A CHEMBL4722 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase B | Ki | = | 15.85 | nM | 7.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | 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