Compound Detail
CHEMBL89355
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Cn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)OC3CCCC3NC(=O)c3ccc(O)cc3)cc2O)n1
Basic Information
| ChEMBL ID | CHEMBL89355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGCYOAAMNDQWOT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
2.44
ALogP
12
HBA
5
HBD
197.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL2654 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 12036372 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of cAMP-dependent Protein kinase A (PKA) | 12036372 |
| Protein kinase C alpha type | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 12036372 |
| Protein kinase C epsilon type | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of partially purified recombinant human calcium insensitive protein k... | 12036372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036372 | 10.1021/jm020018f | Protein kinase C alpha type | 1 |
| 12036372 | 10.1021/jm020018f | Protein kinase C beta type | 1 |
| 12036372 | 10.1021/jm020018f | Protein kinase C epsilon type | 1 |
| 12036372 | 10.1021/jm020018f | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine