Details of the Drug

General Information of Drug (ID: DM2LHPU)

Drug Name

ZK-200775

Synonyms

Fanapanel; MPQX; 161605-73-8; ZK 200775; ZK200775; Fanapanel [INN]; UNII-E3AP71EM0O; ZK-200775; E3AP71EM0O; NCGC00159553-01; [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid; DSSTox_RID_81332; DSSTox_CID_26093; DSSTox_GSID_46093; ((3,4-Dihydro-7-morpholino-2,3-dioxo-6-(trifluoromethyl)-1(2H)-quinoxalinyl)methyl)phosphonic acid; {[7-Morpholin-4-Yl-2,3-Dioxo-6-(Trifluoromethyl)-3,4-Dihydroquinoxalin-1(2h)-Yl]methyl}phosphonic Acid; CAS-161605-73-8; C14H15F3N3O6P; ZK1; AC1L4LOG; AC1Q6RR4

Indication

Disease Entry	ICD 11	Status	REF
Coronary artery disease	BA80	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

409.25

Logarithm of the Partition Coefficient (xlogp)

-0.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C14H15F3N3O6P
IUPAC Name: [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid
Canonical SMILES: C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O
InChI: InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
InChIKey: WZMQMKNCWDCCMT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 208953
CAS Number: 161605-73-8
DrugBank ID: DB12393
TTD ID: D00VNH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Inhibitor	[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

Coronary artery disease

ICD Disease Classification

BA80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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. (Ligand id: 7636).
2	Synthesis of anticonvulsive AMPA antagonists: 4-oxo-10-substituted-imidaz. Bioorg Med Chem Lett. 2001 May 7;11(9):1205-10.