Compound Detail
CHEMBL4546145
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4546145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKVNNBYIDXRNMG-IDISGSTGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.75
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of PLK4 (unknown origin) | 27592744 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of FLT3 (unknown origin) | 27592744 |
| Aurora kinase A | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Aurora A inhibition was determined using the Z-Lyte assay kit ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27592744 | 10.1016/j.bmcl.2016.08.063 | Serine/threonine-protein kinase PLK4 | 1 |
| 27592744 | 10.1016/j.bmcl.2016.08.063 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 27592744 | 10.1016/j.bmcl.2016.08.063 | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine