Compound Detail
CHEMBL328747
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(C(=O)c2c(O)cccc2O)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL328747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZNVHMDFJAWXTJ-IVAFLUGOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
2.15
ALogP
10
HBA
7
HBD
185.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL2654 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.04 | 5.04 | 9200.0 | 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 | = | 440.0 | nM | 6.36 | Inhibition of cAMP-dependent Protein kinase A (PKA) | 12036372 |
| Protein kinase C alpha type | IC50 | = | 860.0 | nM | 6.07 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 12036372 |
| Protein kinase C epsilon type | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of partially purified recombinant human calcium insensitive protein k... | 12036372 |
| Protein kinase C beta type | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of partially purified recombinant human calcium sensitive protein kin... | 12036372 |
| Homo sapiens | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of phorbol-12-myristate-13-acetate (PMA)induced superoxide burst in h... | 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 |
| 12036372 | 10.1021/jm020018f | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine