Compound Detail
CHEMBL347862
CARBOXYMETHOXYLAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL347862 |
| Name | CARBOXYMETHOXYLAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQRKYASMKDDGHT-UHFFFAOYSA-N |
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
91.1
MW (Da)
-1.04
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystathionine gamma-lyase CHEMBL4295745 | IC50 | 6.24 | 5.82 | 570.0 | 2 |
| Cystathionine beta-synthase CHEMBL3399911 | IC50 | 6.0 | 5.3975 | 1000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystathionine gamma-lyase | IC50 | = | 570.0 | nM | 6.24 | Inhibition of N-terminal His-tagged CSE extracted from human HepG2 cells express... | 30108705 |
| Cystathionine beta-synthase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of full-length GST-fused human CBS using methylcysteine as substrate ... | 30108705 |
| Cystathionine beta-synthase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of full-length GST-fused human CBS using cysteine/homocysteine as sub... | 30108705 |
| Cystathionine gamma-lyase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of N-terminal His-tagged CSE extracted from human HepG2 cells express... | 30108705 |
| Cystathionine beta-synthase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of full-length GST-fused human CBS assessed as reduction in H2S produ... | 30108905 |
| Cystathionine beta-synthase | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of full-length GST-fused human CBS assessed as reduction in H2S produ... | 30108905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108905 | 10.1039/C7MD00484B | HT-29 | 4 |
| 30108905 | 10.1039/C7MD00484B | Cystathionine beta-synthase | 3 |
| 2985785 | 10.1021/jm50001a020 | GABA-A receptor; anion channel | 2 |
| 30108705 | 10.1039/C6MD00493H | Cystathionine beta-synthase | 2 |
| 30108705 | 10.1039/C6MD00493H | Cystathionine gamma-lyase | 2 |
| 2985785 | 10.1021/jm50001a020 | Glutamate decarboxylase 1 | 1 |
| 2985785 | 10.1021/jm50001a020 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 30108705 | 10.1039/C6MD00493H | HT-29 | 1 |
| 30108705 | 10.1039/C6MD00493H | Unchecked | 1 |
| 30108905 | 10.1039/C7MD00484B | Mus musculus | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Toxoplasma gondii | 1 |
| 38071943 | 10.1016/j.bmc.2023.117544 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine