Details of the Drug

General Information of Drug (ID: DMWPT8J)

Drug Name
Oxibendazole
Synonyms Oxibendazole, GlaxoSmithKline
Indication
Disease Entry ICD 11 Status REF
Pediatric cancer 2A00-2F9Z Discontinued in Phase 3 [1]
Affected Organisms
Helminthic Microorganisms
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 249.27
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C12H15N3O3
IUPAC Name
methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
Canonical SMILES
CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey
RAOCRURYZCVHMG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4622
ChEBI ID
CHEBI:92907
CAS Number
20559-55-1
UNII
022N12KJ0X
DrugBank ID
DB04910
TTD ID
D0B9GM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polymerase unspecific (POL) TTORYTW NOUNIPROTAC Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Protein Interaction/Cellular Processes [3]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018000)
2 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
3 Stimulation of pro-inflammatory responses by mebendazole in human monocytic THP-1 cells through an ERK signaling pathway. Arch Toxicol. 2011 Mar;85(3):199-207. doi: 10.1007/s00204-010-0584-y. Epub 2010 Sep 17.