Compound Detail
CHEMBL1202926
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CNCC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.Cl
Basic Information
| ChEMBL ID | CHEMBL1202926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDBOFNGIADUAPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL316618 |
| Active Moiety | CHEMBL316618 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.48
ALogP
5
HBA
2
HBD
68.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C, PKC; classical CHEMBL2097168 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C, PKC; classical | IC50 | = | 9.8 | nM | 8.01 | Inhibition of protein kinase C was evaluated as Inhibitory concentration | 8421286 |
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | 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