Compound Detail
CHEMBL181886
PYRUVATE SODIUM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL181886 |
| Name | PYRUVATE SODIUM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DAEPDZWVDSPTHF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1162144 |
| Active Moiety | CHEMBL1162144 |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
3
Known Names
3
Indications
Molecular Properties
88.1
MW (Da)
-0.34
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Severe Acute Respiratory Syndrome Asthma Cystic Fibrosis
Activity Summary
Ki 7 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 4 | Ki | = | 14500.0 | nM | 4.84 | Binding affinity against human cytosolic Carbonic anhydrase IV | 15664815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 1 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 2 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 4 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 9 | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase 2 | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Unchecked | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase | 1 |
Data from ChEMBL 36 via Core Engine