Compound Detail
CHEMBL6279
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Cn1cc(C2=C(c3cn(CCC/N=C(\N)N[N+](=O)[O-])c4ccccc34)C(=O)NC2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL6279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWOYFIJNWGMAQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
2.19
ALogP
7
HBA
3
HBD
149.6
PSA (Ų)
0.09
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 26.0 | nM | 7.58 | Inhibition of protein kinase C (PKC) in rat brain | 1552513 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of protein kinase A (PKA) in bovine heart | 1552513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552513 | 10.1021/jm00084a004 | Protein kinase C (PKC) | 1 |
| 1552513 | 10.1021/jm00084a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine