Compound Detail
CHEMBL103421
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CCN1CCOCCN(CC)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL103421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTVNFRLKAGKBPS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
3.85
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.96 | 6.74 | 110.0 | 2 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 31.0 | nM | 7.51 | Inhibition of Glycogen synthase kinase-3 beta | 12941331 |
| Protein kinase C beta type | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Protein kinase C beta 2 | 12941331 |
| Protein kinase C beta type | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Protein kinase C beta 1 | 12941331 |
| Protein kinase C alpha type | IC50 | = | 910.0 | nM | 6.04 | Inhibition of Protein kinase C alpha | 12941331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C beta type | 2 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C alpha type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C gamma type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C delta type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C epsilon type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C zeta type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine