Compound Detail
CHEMBL3237175
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COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3237175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULOSYFUAOUGRRE-GASCZTMLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.40
ALogP
9
HBA
3
HBD
117.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 113.0 | nM | 6.95 | Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate p... | 24681066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24681066 | 10.1016/j.ejmech.2014.03.027 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine