Compound Detail
CHEMBL422056
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(NC1CNC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL422056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIZRPXUMLQCIMQ-FZCLLLDFSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
1.37
ALogP
10
HBA
7
HBD
202.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C eta type CHEMBL3616 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.77 | 7.625 | 17.0 | 2 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C eta type | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Protein kinase C eta | - |
| Protein kinase C delta type | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Protein kinase C delta | - |
| Protein kinase C gamma type | IC50 | = | 14.0 | nM | 7.85 | Inhibition Protein kinase C gamma | - |
| Protein kinase C epsilon type | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Protein kinase C epsilon | - |
| Protein kinase C beta type | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Protein kinase C beta 1 | - |
| Protein kinase C alpha type | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Protein kinase C alpha | - |
| Protein kinase C beta type | IC50 | = | 33.0 | nM | 7.48 | Inhibition of Protein kinase C beta 2 | - |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Protein Kinase A | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C beta type | 2 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C alpha type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C gamma type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C delta type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C epsilon type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C eta type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | Protein kinase C zeta type | 1 |
| - | 10.1016/0960-894X(95)00382-4 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine