Compound Detail
CHEMBL300549
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Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccc5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL300549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOMOLGHHLGWPZ-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
5.54
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.52 | 7.41 | 30.0 | 2 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Protein kinase C beta 2 | 12749884 |
| Protein kinase C beta type | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Protein kinase C beta 1 | 12749884 |
| Protein kinase C eta type | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Protein kinase C eta | 12749884 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 1870.0 | nM | 5.73 | Inhibition of CaMK2delta | 18334295 |
| Protein kinase C epsilon type | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Protein kinase C epsilon | 12749884 |
| Protein kinase C (PKC) | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of purified rat brain protein kinase C (RB-PKC) | 12749884 |
| Protein kinase C alpha type | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Protein kinase C alpha | 12749884 |
| Protein kinase C delta type | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Protein kinase C delta | 12749884 |
| Protein kinase C gamma type | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Protein kinase C gamma | 12749884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C beta type | 2 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Unchecked | 2 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C alpha type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C gamma type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C delta type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C epsilon type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C zeta type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C eta type | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | CaM kinase II | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 12749884 | 10.1016/s0960-894x(03)00286-5 | Protein kinase C (PKC) | 1 |
| 18334295 | 10.1016/j.bmcl.2008.02.058 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
Data from ChEMBL 36 via Core Engine