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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL396416
CHEMBL396416
Compound Name CARBOCYSTEINE
ChEMBL Synonyms MUCODYNE FTE | PULMOCLASE | LJ 206 | AHR-3053 | LOVISCOL | MUCOLEX | MUCODYNE | CARBOCYSTEINE | MUCOFAN | CARBOCISTEINE | CARBOCISTEIN
Max Phase 4 (Approved)
Trade Names MUCODYNE FTE | PULMOCLASE | LOVISCOL | MUCODYNE | MUCOLEX | MUCOFAN
Molecular Formula C5H9NO4S

Additional synonyms for CHEMBL396416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CSCC(=O)O)C(=O)O
Standard InChI InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7, ...
Download InChI
Standard InChI Key GBFLZEXEOZUWRN-VKHMYHEASA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL396416

Molecule Features

CHEMBL396416 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CARBOCYSTEINE
The Cochrane Collaboration CARBOCYSTEINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL396416. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 1.000
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL2424 Glyoxalase I Homo sapiens 0.999
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 0.992
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.990
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.936
CHEMBL5786 Leukotriene A-4 hydrolase Cavia porcellus 0.923
CHEMBL3972 GAR transformylase Homo sapiens 0.918
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.891
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 0.848
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.821
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.819
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.809
CHEMBL2590 Aminopeptidase N Sus scrofa 0.794
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.768
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.697
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.672
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.633
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.545
CHEMBL3439 Aminopeptidase A Homo sapiens 0.497



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL2721 Excitatory amino acid transporter 3 Homo sapiens 1.000
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 1.000
CHEMBL4973 Excitatory amino acid transporter 2 Homo sapiens 1.000
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 1.000
CHEMBL2424 Glyoxalase I Homo sapiens 0.999
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 0.999
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.998
CHEMBL3085 Excitatory amino acid transporter 1 Homo sapiens 0.993
CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus 0.991
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.974
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.944
CHEMBL1993 DNA (cytosine-5)-methyltransferase 1 Homo sapiens 0.937
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 0.924
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.882
CHEMBL5786 Leukotriene A-4 hydrolase Cavia porcellus 0.863
CHEMBL1907 Aminopeptidase N Homo sapiens 0.838
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.797
CHEMBL3972 GAR transformylase Homo sapiens 0.796
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 0.788

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
179.2 179.0252 -0.78 5 100.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.06 8.81 .2 -3.32 0 11 0.51

Structural Alerts

There are 3 structural alerts for CHEMBL396416. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05C - EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05CB - Mucolytics
R05CB03 - carbocisteine

ChemSpider ChemSpider:GBFLZEXEOZUWRN-VKHMYHEASA-N
Wikipedia Carbocisteine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL396416



ACToR 29433-95-2
BindingDB 50213735
Brenda 1594 75685 29841 50285 11969
ChEBI 16163
ChemicalBook CB7467567 CB42130354
DrugBank DB04339
DrugCentral 4160
eMolecules 489204
EPA CompTox Dashboard DTXSID30110060
FDA SRS 740J2QX53R
IBM Patent System 7FDBBD52A8CDCB3A6F392F8F19922DFD
KEGG Ligand C03727
Metabolights MTBLC16163
MolPort MolPort-003-927-996
Nikkaji J2.289F
PDBe CCS
PubChem 193653
PubChem: Thomson Pharma 15322049 14748323
SureChEMBL SCHEMBL20854
ZINC ZINC000001529732

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