Compound Detail
CHEMBL2113330
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Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL2113330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKHMYZUDIZPQR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2219574 |
| Active Moiety | CHEMBL2219574 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.8
MW (Da)
8.51
ALogP
2
HBA
2
HBD
59.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human recombinant PKCalpha | 10753478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753478 | 10.1021/jm990340z | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine