Compound Detail
CHEMBL86680
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
O=C(NC1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL86680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHPDVSROMSAMDQ-WOVMLBJDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
2.48
ALogP
10
HBA
6
HBD
174.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL2654 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.75 | 4.75 | 18000.0 | 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 | = | 300.0 | nM | 6.52 | Inhibition of cAMP-dependent Protein kinase A (PKA) | 12036372 |
| Protein kinase C beta type | IC50 | = | 800.0 | nM | 6.1 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 12036372 |
| Protein kinase C epsilon type | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of partially purified recombinant human calcium insensitive protein k... | 12036372 |
| Protein kinase C alpha type | IC50 | = | 18000.0 | nM | 4.75 | 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