Compound Detail
CHEMBL319788
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
Cn1cc(C2=C(c3c4n(c5ccccc35)CC[C@@H](CN)C4)C(=O)NC2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL319788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQKKPWJFHBFCTH-OAHLLOKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.22
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C, PKC; classical CHEMBL2097168 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C, PKC; classical | IC50 | = | 10.0 | nM | 8.0 | Inhibition of protein kinase C was evaluated as Inhibitory concentration | 8421286 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of protein kinase A was evaluated as Inhibitory concentration | 8421286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421286 | 10.1021/jm00053a003 | Protein kinase C, PKC; classical | 1 |
| 8421286 | 10.1021/jm00053a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine