Details of the Drug

General Information of Drug (ID: DMMP6YH)

Drug Name

MJ-451

Synonyms

129655-17-0; potassium channel openers, National Taiwan University

Indication

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

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

316.35

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H20N2O4
IUPAC Name: (3S,4R)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Canonical SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3[C@@H](CCC3=O)CO)O)C
InChI: InChI=1S/C17H20N2O4/c1-17(2)16(22)15(19-11(9-20)4-6-14(19)21)12-7-10(8-18)3-5-13(12)23-17/h3,5,7,11,15-16,20,22H,4,6,9H2,1-2H3/t11-,15+,16-/m0/s1
InChIKey: PBEGNZBJXJTFMB-XZJROXQQSA-N

Cross-matching ID

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)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pharmacological characteristics of MJ-451, a new benzopyran- derived ATP-sensitive potassium channel opener, in guinea pig isolated trachea. Pharmacology. 1998 Dec;57(6):314-22.