Details of the Drug

General Information of Drug (ID: DMSNL51)

Drug Name
Oxfendazole
Synonyms
Oxfendazole; Fenbendazole sulfoxide; Synanthic; Systamex; OFDZ; Systemax; Repidose; Oxfendazolum; Oxfendazol; Synanthic (Veterinary); RS-8858; fenbendazole S-oxide; RS 8858; 5-Phenylsulfinyl-2-carbomethoxyaminobenzimidazole; Oxfendazol [INN-Spanish]; Oxfendazolum [INN-Latin]; UNII-OMP2H17F9E; HOE 8105; methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate; Oxfendazole [USAN:BAN:INN]; Methyl 5-(phenylsulfinyl)-2-benzimidazolecarbamate; Oxfendazole (USP/INN)
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 315.3
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H13N3O3S
IUPAC Name
methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Canonical SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
BEZZFPOZAYTVHN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
40854
ChEBI ID
CHEBI:35812
CAS Number
53716-50-0
UNII
OMP2H17F9E
DrugBank ID
DB11446
VARIDT ID
DR01557
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2) OTW8V2V1 ABCG2_HUMAN Gene/Protein Processing [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Transport of anthelmintic benzimidazole drugs by breast cancer resistance protein (BCRP/ABCG2). Drug Metab Dispos. 2005 May;33(5):614-8.