Compound Detail
CHEMBL1964519
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Basic Information
| ChEMBL ID | CHEMBL1964519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNYPORVAHOFKGG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.38
ALogP
7
HBA
4
HBD
116.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | Ki | = | 0.1259 | nM | 9.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase B | Ki | = | 5.012 | nM | 8.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 19.95 | nM | 7.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine