Details of the Drug

General Information of Drug (ID: DMA01BV)

Drug Name

S-18986

Synonyms

S 18986; S-18986; UNII-IA262432Y9; 175340-20-2; S18986; IA262432Y9; MNTIJYGEITVWHU-SNVBAGLBSA-N; AC1LCV4Z; S18986-1; SCHEMBL6622911; S 18986-1; GTPL4304; CHEMBL320642; EX-A818; MolPort-023-276-986; (3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide; ZINC3827020; AKOS024457867; (S)-2,3-dihydro-(3,4)cyclopentano-1,2,4-benzothiadiazine-1,1-dioxide; B5493; (3aS)-5,5Dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Discontinued in Phase 2	[1]
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Therapeutic Class

Neurodegenerative

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

224.28

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H12N2O2S
IUPAC Name: (3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Canonical SMILES: C1C[C@@H]2NS(=O)(=O)C3=CC=CC=C3N2C1
InChI: InChI=1S/C10H12N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-2,4-5,10-11H,3,6-7H2/t10-/m1/s1
InChIKey: MNTIJYGEITVWHU-SNVBAGLBSA-N

Cross-matching ID

PubChem CID: 637863
CAS Number: 175340-20-2
TTD ID: D0M0HJ

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Alzheimer disease

ICD Disease Classification

8A20

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: 4304).
2	Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.