Details of the Drug

General Information of Drug (ID: DM8SVHI)

Drug Name

WAY-181187

Synonyms

WAY-181187; 554403-49-5; UNII-WXE3H7W295; WXE3H7W295; WAY-181,187; WAY 181187; SCHEMBL801436; WAY181187 HCl; GTPL3240; CHEMBL392760; BDBM21358; SAX-187; DTXSID50204011; EX-A799; MolPort-005-933-335; ZINC3816551; AKOS028111927; WAY-181187(SAX-187); KB-81479; FT-0700331; WAY181187.HCl pound WAY-181 187 pound(c); J-690323; N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine; 1-[(6-chloroimidazo[2,1-b]thiazol-5-yl)sulfonyl]-1H-indole-3-ethanamine

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

380.9

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H13ClN4O2S2
IUPAC Name: 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN
InChI: InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
InChIKey: RYBOXBBYCVOYNO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10150497
CAS Number: 554403-49-5
TTD ID: D06ZVC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

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: 3240).
2	Neuropharmacological profile of novel and selective 5-HT6 receptor agonists: WAY-181187 and WAY-208466.Neuropsychopharmacology.2008 May;33(6):1323-35.