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]
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
ChEBI ID
CHEMBL392760
CAS Number
554403-49-5
TTD ID
D06ZVC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) 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.