Compound Detail
CHEMBL1999910
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Basic Information
| ChEMBL ID | CHEMBL1999910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRVAQRJHHUVDRV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.8
MW (Da)
4.35
ALogP
4
HBA
2
HBD
78.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 3.981 | nM | 8.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine