Compound Detail
CHEMBL344314
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
Basic Information
| ChEMBL ID | CHEMBL344314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCVZSHVZGVWQKV-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
0.47
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Ki 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.1 | 5.3767 | 800.0 | 3 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium falciparum Pfmrk | 17588749 |
| Unchecked | Ki | = | 800.0 | nM | 6.1 | Binding affinity to PKG | 22521647 |
| Unchecked | Ki | = | 1900.0 | nM | 5.72 | Binding affinity to PKAc | 22521647 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of cAMP-dependent protein kinase (PKA). | 1992155 |
| Protein kinase C (PKC) | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of protein kinase C (PKC) | 1992155 |
| Unchecked | Ki | = | 49000.0 | nM | 4.31 | Inhibition of Staphylococcus sp. APH(3')-3a | 21235241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024584 | 10.1073/pnas.0709695104 | H4 | 15 |
| 2909743 | 10.1021/jm00121a010 | Canis familiaris | 2 |
| 17588749 | 10.1016/j.bmcl.2007.06.032 | Plasmodium falciparum | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 1992155 | 10.1021/jm00105a012 | Protein kinase C (PKC) | 1 |
| 1992155 | 10.1021/jm00105a012 | cAMP-dependent protein kinase (PKA) | 1 |
| 17588749 | 10.1016/j.bmcl.2007.06.032 | Protein kinase Pfmrk | 1 |
| 21235241 | 10.1021/jm101121s | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37593570 | 10.1039/d2md00371f | Unchecked | 1 |
| 8904648 | 10.1111/j.1476-5381.1996.tb15733.x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine