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]
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
CHEBI:135014
CAS Number
84611-23-4
DrugBank ID
DB05057
TTD ID
D0K3VA
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