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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL863
CHEMBL863
Compound Name CYSTEINE
ChEMBL Synonyms E920 | L-CYSTEINE | Cysteine Hydrochloride | L-CYSTEINEMETHYL HYDROCHLORIDE | E921 | L-CYSTEINE ETHYLESTER HYDROCHLORIDE | CYSTEINE | CYSTEINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names CYSTEINE HYDROCHLORIDE
Molecular Formula C3H7NO2S

Additional synonyms for CHEMBL863 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CS)C(=O)O
Standard InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/ ...
Download InChI
Standard InChI Key XUJNEKJLAYXESH-REOHCLBHSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL863

Molecule Features

CHEMBL863 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov CYSTEINE
The Cochrane Collaboration CYSTEINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
121.2 121.0197 -0.67 2 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.07 11.05 .09 -2.44 0 7 0.42

Structural Alerts

There are 8 structural alerts for CHEMBL863. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUJNEKJLAYXESH-REOHCLBHSA-N
DailyMed cysteine hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL863



ACToR 4371-52-2 62488-11-3 345909-32-2
BindingDB 50109609
Brenda 74 553 136826 138051 153 336
ChEBI 17561 35235
ChemicalBook CB7388480
DrugBank DB00151
DrugCentral 769
eMolecules 484930
EPA CompTox Dashboard DTXSID8022876
FDA SRS K848JZ4886
Guide to Pharmacology 4782
Human Metabolome Database HMDB0000574
IBM Patent System 066B6E0DAA89646724620F1B2CCEB6C0
KEGG Ligand C00097
Mcule MCULE-6337217524 MCULE-1896679526
Metabolights MTBLC17561 MTBLC35235
MolPort MolPort-001-792-383
Nikkaji J9.167G
PDBe CYS
PharmGKB PA449173
PubChem 5862 6419722
PubChem: Thomson Pharma 14747569 15119851
Recon cys_L
Rhea 35235
SureChEMBL SCHEMBL3349
ZINC ZINC000000895042

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XUJNEKJLAYXESH-REOHCLBHSA-N spacer
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