Details of the Drug

General Information of Drug (ID: DM9F81Z)

Drug Name

NS-257

Synonyms

PD-144216

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

324.36

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C13H16N4O4S
IUPAC Name: 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide
Canonical SMILES: CN1CC2=C(C=C3C(=C2C1)NC(=C3N=O)O)S(=O)(=O)N(C)C
InChI: InChI=1S/C13H16N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4,14,18H,5-6H2,1-3H3
InChIKey: ZPJJGAUEQIVPRW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Cerebrovascular ischaemia

ICD Disease Classification

8B1Z

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)

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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 800002246)
2	Characterization of the binding of [3H]NS 257, a novel competitive AMPA receptor antagonist, to rat brain membranes and brain sections. J Neurochem. 1995 Sep;65(3):1264-73.