Compound Detail
CHEMBL5766613
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
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4cccc(N5CCNCC5)c4)n[nH]c3c1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5766613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFKIVLKEKRYXCU-WOKNPCPGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.03
ALogP
5
HBA
3
HBD
82.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Aurora B inhibition was determined using the Z-Lyte assay kit ... | - |
| Aurora kinase B | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: Aurora B inhibition was determined using the Z-Lyte assay kit ... | - |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition Assay: PLK3 inhibition was determined using the Z-Lyte assay kit from... | - |
Data from ChEMBL 36 via Core Engine