Compound Detail
CHEMBL3962346
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Basic Information
| ChEMBL ID | CHEMBL3962346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNGWKNOAOBDQDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.06
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.42 | 7.42 | 38.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 38.2 | nM | 7.42 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
Data from ChEMBL 36 via Core Engine