Details of the Drug

General Information of Drug (ID: DMCSZG0)

Drug Name

WAY-125971

Synonyms

Way 125971; 139047-48-6; Way-125,971; AC1L53ET; SCHEMBL9736383; CHEMBL109351; DTXSID80160878; N-(2-((Methyl-3-(4-((methylsulfonyl)amino)phenoxy)propyl)amino)methyl)-6-quinolinylmethanesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

492.6

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C22H28N4O5S2
IUPAC Name: 2-[[3-[4-(methanesulfonamido)phenoxy]propyl-methylamino]methyl]-N-methylquinoline-6-sulfonamide
Canonical SMILES: CNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2)CN(C)CCCOC3=CC=C(C=C3)NS(=O)(=O)C
InChI: InChI=1S/C22H28N4O5S2/c1-23-33(29,30)21-11-12-22-17(15-21)5-6-19(24-22)16-26(2)13-4-14-31-20-9-7-18(8-10-20)25-32(3,27)28/h5-12,15,23,25H,4,13-14,16H2,1-3H3
InChIKey: YENONGAXQMSIAO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 101617951
TTD ID: D0UZ5N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and selective class III antiarrhythmic activity of novel N-heteroaralkyl-substituted 1-(aryloxy)-2-propanolamine and related propylamine derivatives. J Med Chem. 1991 Nov;34(11):3212-28.