Compound Detail
CHEMBL863
CYSTEINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL863 |
| Name | CYSTEINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XUJNEKJLAYXESH-REOHCLBHSA-N |
3
Targets
13
Activities
3
Assay Types
2
PK Parameters
20
Publications
9
Known Names
2
Indications
Molecular Properties
121.2
MW (Da)
-0.67
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1986 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Uremia Vitamin D Deficiency
Activity Summary
IC50 7 meas. best 4.74
EC50 3 meas. best 4.7
Ki 3 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.74 | 4.73 | 18400.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Cystine/glutamate transporter CHEMBL1075149 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.4 | hr | - |
| T1/2 | 5.3 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 18400.0 | nM | 4.74 | Antioxidant activity assessed as DPPH free radical scavenging activity treated w... | 27017266 |
| No relevant target | IC50 | = | 19200.0 | nM | 4.72 | Antioxidant activity assessed as DPPH free radical scavenging activity treated w... | 27017266 |
| Unchecked | EC50 | = | 20000.0 | nM | 4.7 | Concentration required for obtaining 50% of the fluorescence intensity of copper... | 12729634 |
| Cystine/glutamate transporter | Ki | = | 59000.0 | nM | 4.23 | Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system ... | 19932968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732527 | 10.1021/jm00079a025 | Glutathione S-transferase kappa 1 | 6 |
| 1732527 | 10.1021/jm00079a025 | Glutathione S-transferase Mu 1 | 6 |
| - | 10.1039/C2MD20020A | Serine palmitoyltransferase | 5 |
| 18926709 | 10.1016/j.bmc.2008.09.068 | NON-PROTEIN TARGET | 5 |
| 18926709 | 10.1016/j.bmc.2008.09.068 | No relevant target | 5 |
| 19932968 | 10.1016/j.bmc.2009.11.001 | Cystine/glutamate transporter | 4 |
| 364061 | 10.1021/jm00210a019 | Rattus norvegicus | 4 |
| 27017266 | 10.1016/j.ejmech.2016.03.019 | No relevant target | 4 |
| 18926709 | 10.1016/j.bmc.2008.09.068 | Radical scavenging activity | 3 |
| 10579867 | 10.1021/np990204x | Radical scavenging activity | 3 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 722714 | 10.1021/jm00208a011 | Unchecked | 2 |
| 11278508 | 10.1074/jbc.m009462200 | Monocarboxylate transporter 10 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 209189 | 10.1021/jm00205a023 | No relevant target | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine