Compound Detail
CHEMBL6021436
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CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@H]4C[C@]45C(=O)Nc4ccccc45)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL6021436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZBZBQUHFXSFOR-REZBJRCTSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.17
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: PLK4 activity was measured using an indirect ELISA detection s... | - |
| Aurora kinase B | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Aurora B inhibition was determined using the Z-Lyte assay kit ... | - |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Active PLK4 was purified from an E. coli expression system as ... | - |
| Aurora kinase B | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Aurora B inhibition was determined using the Z-Lyte assay kit ... | - |
Data from ChEMBL 36 via Core Engine