Compound Detail
CHEMBL316088
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCCOc1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC2CCCC2NC(=O)c2ccc(O)cc2)cc1O
Basic Information
| ChEMBL ID | CHEMBL316088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSHBJCKAAPGSEC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
2.59
ALogP
10
HBA
6
HBD
188.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL2654 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of cAMP-dependent Protein kinase A (PKA) | 12036372 |
| Protein kinase C epsilon type | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of partially purified recombinant human calcium insensitive protein k... | 12036372 |
| Protein kinase C beta type | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 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