Details of the Drug

General Information of Drug (ID: DMM1YC4)

Drug Name
E-101
Synonyms
Myeloperoxidase; Glucose oxidase; Human myeloperoxidase, dimer; E-101 (infections); Myeloperoxidase formulations (nosocomial infections), Exoxemis; E-101 (infections), Exoxemis; MPO enzyme system (hospital-acquiredl infections), Exoxemis; Myeloperoxidase + glucose oxidase (infections), Exoxemis
Indication
Disease Entry ICD 11 Status REF
Infectious disease 1A00-CA43.1 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 377.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C17H26Cl2N2O3
IUPAC Name
5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
Canonical SMILES
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCN(C2)CC)OC)Cl.Cl
InChI
InChI=1S/C17H25ClN2O3.ClH/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11;/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22);1H/t11-;/m0./s1
InChIKey
RDZXYWICCLALQM-MERQFXBCSA-N
Cross-matching ID
PubChem CID
11973707
UNII
0T8392U5N1
DrugBank ID
DB12862
TTD ID
D0XD5A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Myeloperoxidase (MPO) TTVCZPI PERM_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Infectious disease
ICD Disease Classification 1A00-CA43.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Myeloperoxidase (MPO) DTT MPO 2.88E-01 -0.02 -0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01297959) Efficacy and Safety of E-101 Solution for Preventing Surgical Site Infections After Colorectal Surgery. U.S. National Institutes of Health.
2 In vitro antibacterial activity of E-101 Solution, a novel myeloperoxidase-mediated antimicrobial, against Gram-positive and Gram-negative pathogens. J Antimicrob Chemother. 2011 Feb;66(2):335-42.