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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL602
CHEMBL602
Compound Name CYSTEAMINE
ChEMBL Synonyms Cysteamine | MERCAPTAMINE | CYSTAGON | CI-9148 | MEA | CYSTARAN | CYSTEAMINE HYDROCHLORIDE | L-1573 | Cystagon | CYSTEAMINE BITARTRATE
Max Phase 4 (Approved)
Trade Names CYSTAGON | CYSTARAN
Molecular Formula C2H7NS

Additional synonyms for CHEMBL602 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCS
Standard InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Standard InChI Key UFULAYFCSOUIOV-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL602

Molecule Features

CHEMBL602 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cystine reducing agent Cystine DailyMed DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CYSTINOSISD003554Orphanet:213CYSTINOSIS4ClinicalTrials
DailyMed
DailyMed
DailyMed
ClinicalTrials
NON-ALCOHOLIC FATTY LIVER DISEASED065626EFO:0003095NON-ALCOHOLIC FATTY LIVER DISEASE2ClinicalTrials
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS1ClinicalTrials
FATTY LIVERD005234HP:0001397HEPATIC STEATOSIS1ClinicalTrials

Clinical Data

ClinicalTrials.gov CYSTEAMINE
The Cochrane Collaboration CYSTEAMINE

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
77.2 77.0299 -0.22 1 64.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.32 10.34 .22 -1.3 0 4 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL602. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A16 - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AA - Amino acids and derivatives
A16AA04 - mercaptamine

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01X - OTHER OPHTHALMOLOGICALS
S01XA - Other ophthalmologicals
S01XA21 - mercaptamine

ChemSpider ChemSpider:UFULAYFCSOUIOV-UHFFFAOYSA-N
DailyMed cysteamine bitartrate cysteamine hydrochloride
PubChem SID: 11111480 SID: 144206643 SID: 90341118
Wikipedia Cysteamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL602



ACToR 60-23-1 3037-04-5 139720-70-0
BindingDB 7968
Brenda 787 29810 35109 6431 44877 15839 56950 96758 104842 18187
ChEBI 17141
DrugBank DB00847
DrugCentral 768
eMolecules 495805
EPA CompTox Dashboard DTXSID3022875
FDA SRS 5UX2SD1KE2
Guide to Pharmacology 7440
Human Metabolome Database HMDB02991
KEGG Ligand C01678
Mcule MCULE-1838427828
Metabolights MTBLC17141
Nikkaji J62.801H
PDBe DHL
PharmGKB PA449171
PubChem 6058 118985556
PubChem: Thomson Pharma 15218635
SureChEMBL SCHEMBL16369
ZINC ZINC000008034121

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