Details of the Drug

General Information of Drug (ID: DM1KW0L)

Drug Name

LY-392098

Synonyms

AMPA modulators, Eli Lilly; LY-404187; LY-4516146; LY-451616; LY-451646; LY-503430; PF-4775874

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.5

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H21NO2S2
IUPAC Name: N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
Canonical SMILES: CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CSC=C2
InChI: InChI=1S/C16H21NO2S2/c1-12(2)21(18,19)17-10-13(3)14-4-6-15(7-5-14)16-8-9-20-11-16/h4-9,11-13,17H,10H2,1-3H3
InChIKey: QFAUPDBCVKBKSH-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	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Cognitive impairment

ICD Disease Classification

6D71

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	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: 4251).
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: 4251).