Compound Detail
CHEMBL5781899
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COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5781899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAHZZERYOWPURL-WNWQKLGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.76
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 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 ... | - |
Data from ChEMBL 36 via Core Engine