Details of the Drug

General Information of Drug (ID: DMFOTZ7)

Drug Name
Racecadotril
Synonyms Acetorphan; Hidrasec; Tiorfan
Indication
Disease Entry ICD 11 Status REF
Diarrhea ME05.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 385.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H23NO4S
IUPAC Name
benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Canonical SMILES
CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChIKey
ODUOJXZPIYUATO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
107751
ChEBI ID
CHEBI:91508
CAS Number
81110-73-8
DrugBank ID
DB11696
TTD ID
D0JY3V
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
Endopeptidase (ENP) TT8CYO4 NOUNIPROTAC Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
2-aminomuconic semialdehyde dehydrogenase (ALDH8A1) OTINY3MW AL8A1_HUMAN Gene/Protein Processing [3]
Arrestin domain-containing protein 3 (ARRDC3) OTAKW7R9 ARRD3_HUMAN Gene/Protein Processing [3]
CCAAT/enhancer-binding protein beta (CEBPB) OTM9MQIA CEBPB_HUMAN Gene/Protein Processing [3]
Cystine/glutamate transporter (SLC7A11) OTKJ6PXW XCT_HUMAN Gene/Protein Processing [3]
Galectin-1 (LGALS1) OT8LDFWR LEG1_HUMAN Gene/Protein Processing [3]
Glutathione-specific gamma-glutamylcyclotransferase 1 (CHAC1) OTJGE772 CHAC1_HUMAN Gene/Protein Processing [3]
Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 1 protein (HERPUD1) OT9EROL6 HERP1_HUMAN Gene/Protein Processing [3]
Hydroxymethylglutaryl-CoA synthase, cytoplasmic (HMGCS1) OTCO26FV HMCS1_HUMAN Gene/Protein Processing [3]
Squalene monooxygenase (SQLE) OT0GGRDO ERG1_HUMAN Gene/Protein Processing [3]
Transmembrane 6 superfamily member 1 (TM6SF1) OTQR4I2N TM6S1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 A comprehensive review of the pharmacodynamics, pharmacokinetics, and clinical effects of the neutral endopeptidase inhibitor racecadotril. Front Pharmacol. 2012 May 30;3:93.
3 Successful validation of genomic biomarkers for human immunotoxicity in Jurkat T cells in vitro. J Appl Toxicol. 2015 Jul;35(7):831-41.