Compound Detail
CHEMBL1794791
OXALOACETATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1794791 |
| Name | OXALOACETATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
8
Known Names
7
Indications
Molecular Properties
132.1
MW (Da)
-0.89
ALogP
3
HBA
2
HBD
91.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Breast Carcinoma In Situ Breast Neoplasms Parkinson Disease Alzheimer Disease Amyotrophic Lateral Sclerosis Glioma Myasthenia Gravis
Activity Summary
IC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.025 | 88.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 88.8 | nM | 7.05 | Inhibition of pyruvate carboxylase in human HepG2 cell lysate measured upto 24 h... | 34931827 |
| Unchecked | IC50 | = | 88.8 | nM | 7.05 | Inhibition of pyruvate carboxylase in human HCCLM3 cell lysate measured upto 24 ... | 34931827 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of pyruvate carboxylase in human HepG2 cells measured upto 24 hrs by ... | 34931827 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of pyruvate carboxylase in human HCCLM3 cells measured upto 24 hrs by... | 34931827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37252106 | 10.1039/d3md00058c | Unchecked | 12 |
| 37252106 | 10.1039/d3md00058c | Putative citrate synthase 2 | 6 |
| 34931827 | 10.1021/acs.jmedchem.1c01605 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12065749 | 10.1124/mol.62.1.7 | Solute carrier family 22 member 7 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30737136 | 10.1016/j.bmc.2019.01.018 | Prolyl 4-hydroxylase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32883639 | 10.1016/j.ejmech.2020.112760 | Lysine-specific demethylase 5B | 1 |
Data from ChEMBL 36 via Core Engine