Details of the Drug

General Information of Drug (ID: DMM65W1)

Drug Name

CX-717

Synonyms

CX-1763; CX-546; CX-614; CX-727; CX-729; CX-743; CX-815; S-40929; First generation AMPA receptor modulators, Cortex/University of California; First-generation AMPAKINE compounds, University of California/Cortex

Indication

Disease Entry	ICD 11	Status	REF
Spinal cord injury	ND51.2	Phase 2	[1]
Alzheimer disease	8A20	Preclinical	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

233.22

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H11N3O3
IUPAC Name: 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone
Canonical SMILES: C1COCCN1C(=O)C2=CC3=NON=C3C=C2
InChI: InChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2
InChIKey: KFRQROSRKSVROW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3323368
CAS Number: 211735-82-9
UNII: 7I12YTA3QM
DrugBank ID: DB05047
TTD ID: D0G3AR

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Modulator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Spinal cord injury

ICD Disease Classification

ND51.2

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

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	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: 7842).
3	Acute sleep deprivation: the effects of the AMPAKINE compound CX717 on human cognitive performance, alertness and recovery sleep. J Psychopharmacol. 2012 Aug;26(8):1047-57.