Details of the Drug

General Information of Drug (ID: DMKVXYS)

Drug Name

FK-409

Synonyms

nor-3; 3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-; 92454-83-6; 163180-49-2; ACMC-20eif3; AC1OAT8P; 4-ethyl-2-hydroxyimino-5-nitrohex-3-enamide; CTK3H0114; CTK4D1460

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

215.21

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H13N3O4
IUPAC Name: (E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enamide
Canonical SMILES: CC/C(=C\\C(=N\\O)\\C(=O)N)/C(C)[N+](=O)[O-]
InChI: InChI=1S/C8H13N3O4/c1-3-6(5(2)11(14)15)4-7(10-13)8(9)12/h4-5,13H,3H2,1-2H3,(H2,9,12)/b6-4+,10-7-
InChIKey: MZAGXDHQGXUDDX-JSRXJHBZSA-N

Cross-matching ID

PubChem CID: 6413529
CAS Number: 92454-60-9
TTD ID: D0ZM8B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Soluble guanylyl cyclase (GUCY2D)	TTWNFC2	GUC2D_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The interaction of FK409, a novel nitric oxide releaser, and peripherally administered morphine during experimental inflammation. Anesth Analg. 1998 Feb;86(2):367-73.
2	Vasorelaxant mechanism of the new vasodilator, FK409. Eur J Pharmacol. 1993 Aug 15;246(3):205-12.