Compound Detail
CHEMBL490356
SYMPHYOKETONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL490356 |
| Name | SYMPHYOKETONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLMBLIAKCCQZSI-ZCFIWIBFSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
4.69
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.25
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.97 | 5.97 | 1080.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.78 | 5.78 | 1670.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 560.0 | nM | 6.25 | Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 6 | Ki | = | 590.0 | nM | 6.23 | Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 4 | Ki | = | 1080.0 | nM | 5.97 | Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 1 | Ki | = | 1670.0 | nM | 5.78 | Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylac... | 22230050 |
| Radical scavenging activity | IC50 | = | 8500.0 | nM | 5.07 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 11141124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141124 | 10.1021/np0002278 | Radical scavenging activity | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 1 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 2 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 4 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 6 | 1 |
Data from ChEMBL 36 via Core Engine