Details of the Drug

General Information of Drug (ID: DM6QFSV)

Drug Name
Erdosteine
Synonyms
Asdigan; Biopulmin; Dostin; Dostol; Drupsan; Ectrin; Edirel; Erdomed; Erdopect; Erdos; Erdotin; Esteclin; Fluidasa; Flusten; Mucoflux; Mucofor; Mucotec; Mucothera; Mukial; Secresolv; Theovix; Tusselin; Vectrine; KW-9144; RV-144
Indication
Disease Entry ICD 11 Status REF
Bronchitis CA20 Approved [1]
ATC Code
R05CB15: Erdosteine
R05CB: Mucolytics
R05C: EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05: COUGH AND COLD PREPARATIONS
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 249.3
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H11NO4S2
IUPAC Name
2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid
Canonical SMILES
C1CSC(=O)C1NC(=O)CSCC(=O)O
InChI
InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
QGFORSXNKQLDNO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65632
ChEBI ID
CHEMBL135014
CAS Number
84611-23-4
UNII
76J0853EKA
DrugBank ID
DB05057
TTD ID
D0K3VA
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pancreatic elastase 1 (CELA1) TT3NKIB CELA1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bronchitis
ICD Disease Classification CA20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Pancreatic elastase 1 (CELA1) DTT CELA1 8.56E-02 0.06 0.25
Pancreatic elastase 1 (CELA1) DTT CELA1 3.82E-02 0.19 0.7
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015