Compound Detail
CHEMBL315389
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O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CNS(=O)(=O)c1ccccc1)CCn1cc2c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL315389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADVDNJCNXOTAHZ-NRFANRHFSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
580.7
MW (Da)
3.93
ALogP
7
HBA
2
HBD
111.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.36 | 7.065 | 44.0 | 2 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 44.0 | nM | 7.36 | Inhibition of Protein kinase C beta 2 | 8709095 |
| Protein kinase C beta type | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Protein kinase C beta 1 | 8709095 |
| Protein kinase C delta type | IC50 | = | 880.0 | nM | 6.06 | Inhibition of Protein kinase C delta | 8709095 |
| Protein kinase C eta type | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Protein kinase C eta | 8709095 |
| Protein kinase C (PKC) | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of rat brain Protein kinase C | 8709095 |
| Unchecked | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of purified mammalian brain calcium [Ca(2+)]/Calmodulin dependent kin... | 8709095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709095 | 10.1021/jm950588y | Unchecked | 4 |
| 8709095 | 10.1021/jm950588y | Protein kinase C beta type | 2 |
| 8709095 | 10.1021/jm950588y | Protein kinase C alpha type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C gamma type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C delta type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C epsilon type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C zeta type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C eta type | 1 |
| 8709095 | 10.1021/jm950588y | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C (PKC) | 1 |
| 8709095 | 10.1021/jm950588y | Molecular identity unknown | 1 |
| 8709095 | 10.1021/jm950588y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine