Compound Detail
CHEMBL1992527
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Basic Information
| ChEMBL ID | CHEMBL1992527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBQBMMMQJSJEJT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.21
ALogP
6
HBA
4
HBD
106.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | Ki | = | 31.62 | nM | 7.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase B | Ki | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| ALK tyrosine kinase receptor | Ki | = | 79.43 | nM | 7.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 251.19 | nM | 6.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine