Details of the Drug

General Information of Drug (ID: DMUL4PE)

Drug Name

MMB-4

Synonyms

Acetocholinesterase reactivator (poison intoxication), SwRI; Dimethanesulfonate (poison intoxication), SwRI

Indication

Disease Entry	ICD 11	Status	REF
Poison intoxication	NE6Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

418.08

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C13H14Br2N4O2
IUPAC Name: (NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;dibromide
Canonical SMILES: C1=C[N+](=CC=C1/C=N/O)C[N+]2=CC=C(C=C2)/C=N/O.[Br-].[Br-]
InChI: InChI=1S/C13H12N4O2.2BrH/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19;;/h1-10H,11H2;2*1H
InChIKey: ZKQNRRLCBJUEBC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Poison intoxication

ICD Disease Classification

NE6Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

Molecular Expression Atlas (MEA)

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2465).