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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.