Compound Detail
CHEMBL1765876
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Basic Information
| ChEMBL ID | CHEMBL1765876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIJYWPGTRDMEFZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.93
ALogP
6
HBA
4
HBD
118.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of PDK1 | 21341675 |
| TGF-beta receptor type-1 | IC50 | = | 25.12 | nM | 7.6 | Inhibition of ALK5 | 21341675 |
| Aurora kinase A | IC50 | = | 199.53 | nM | 6.7 | Inhibition of aurora A | 21341675 |
| Rho-associated protein kinase 1 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of ROCK1 | 21341675 |
| Aurora kinase B | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of aurora B | 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 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine