Compound Detail
CHEMBL1614776
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
C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1
Basic Information
| ChEMBL ID | CHEMBL1614776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAMJJHMLLXIWRZ-GXTWGEPZSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.07
ALogP
8
HBA
4
HBD
148.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 8.0 | 7.9 | 10.0 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.8 | 6.4 | 158.5 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.3 | 6.2 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of PDK1 | 21341675 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 15.85 | nM | 7.8 | Inhibition of PDK1 | 21341675 |
| Aurora kinase B | IC50 | = | 158.49 | nM | 6.8 | Inhibition of aurora B | 21341675 |
| Aurora kinase A | IC50 | = | 501.19 | nM | 6.3 | Inhibition of aurora A | 21341675 |
| Aurora kinase A | IC50 | = | 794.33 | nM | 6.1 | Inhibition of aurora A | 21341675 |
| Aurora kinase B | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of aurora B | 21341675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341675 | 10.1021/jm101527u | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 21341675 | 10.1021/jm101527u | Aurora kinase A | 2 |
| 21341675 | 10.1021/jm101527u | Aurora kinase B | 2 |
| 21341675 | 10.1021/jm101527u | TGF-beta receptor type-1 | 2 |
| 21341675 | 10.1021/jm101527u | Rho-associated protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine