Details of the Drug

General Information of Drug (ID: DMWRT4L)

Drug Name

YM-90K

Synonyms

154164-30-4; YM 90K hydrochloride; YM 90K; YM-90K; UAEXCLWI0Q; YM-90K hydrochloride; UNII-UAEXCLWI0Q; 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione; 2,3-Quinoxalinedione, 1,4-dihydro-6-(1H-imidazol-1-yl)-7-nitro-, monohydrochloride; 1,4-Dihydro-6-(1H-imidazol-1-yl)-7-nitro-2,3-quinoxalinedione monohydrochloride; 6-(1h-imidazol-1-yl)-7-nitro-2,3(1h,4h)-quinoxalinedione hydrochloride; YM-900; YM90K hydrochloride; AC1NUOLT; YM90KHYDROCHLORIDE; YM 90K HCl; YM-90K HCl; CHEMBL3400490; C11H7N5O4; EX-A113; DTXSID00165547

Indication

Disease Entry	ICD 11	Status	REF
Convulsion	8A68.Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

309.66

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C11H8ClN5O4
IUPAC Name: 6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
Canonical SMILES: C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-].Cl
InChI: InChI=1S/C11H7N5O4.ClH/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15;/h1-5H,(H,13,17)(H,14,18);1H
InChIKey: UMLFDVOHVJPDIZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5486547
CAS Number: 154164-30-4
TTD ID: D02TTF

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]
Glutamate receptor AMPA 1 (GRIA1)	TTVPQTF	GRIA1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic kainate 1 (GRIK1)	TT0MYE2	GRIK1_HUMAN	Inhibitor	[3]
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[3]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[3]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[3]

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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

Convulsion

ICD Disease Classification

8A68.Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA 1 (GRIA1)	DTT	GRIA1	1.46E-06	-0.63	-0.78
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	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002155)
2	Synthesis and AMPA receptor antagonistic activity of a novel 7-imidazolyl-6-trifluoromethyl quinoxalinecarboxylic acid with a substituted phenyl gr... Bioorg Med Chem Lett. 2004 Oct 18;14(20):5107-11.
3	4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.