Compound Detail
CHEMBL1765747
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CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
Basic Information
| ChEMBL ID | CHEMBL1765747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVNQYDHDQBJAAH-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.68
ALogP
8
HBA
4
HBD
148.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 316.23 | nM | 6.5 | Inhibition of aurora B | 21341675 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of PDK1 | 21341675 |
| Aurora kinase A | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of aurora A | 21341675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341675 | 10.1021/jm101527u | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 21341675 | 10.1021/jm101527u | Aurora kinase A | 1 |
| 21341675 | 10.1021/jm101527u | Aurora kinase B | 1 |
| 21341675 | 10.1021/jm101527u | TGF-beta receptor type-1 | 1 |
| 21341675 | 10.1021/jm101527u | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine