Compound Detail
CHEMBL299519
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Cn1cc(C2=C(c3cn(C)c4ccc([N+](=O)[O-])cc34)C(=O)NC2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL299519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNBSCVOUTJSEPP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
99.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C gamma type CHEMBL3604 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C gamma type | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrate... | 1732526 |
| Unchecked | IC50 | = | 21300.0 | nM | 4.67 | Inhibition of bovine cAMP-dependent protein kinase A. | 1732526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732526 | 10.1021/jm00079a024 | Unchecked | 2 |
| 1732526 | 10.1021/jm00079a024 | Protein kinase C gamma type | 1 |
Data from ChEMBL 36 via Core Engine