Details of the Drug

General Information of Drug (ID: DM9K2LU)

Drug Name
WAY-208466
Synonyms
UNII-0AXW9ALG9W; 0AXW9ALG9W; CHEMBL571858; SCHEMBL3892710; GTPL8429; BDBM50300828; ZINC38542752; NCGC00370934-02; WAY-208466 dihydrochloride, > 3-((3-Fluorophenyl)sulfonyl)-N,N-dimethyl-1H-pyrrolo(2,3-b)pyridine-1-ethanamine; 2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine; 1H-Pyrrolo(2,3-b)pyridine-1-ethanamine, 3-((3-fluorophenyl)sulfonyl)-N,N-dimethyl-; 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 347.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H18FN3O2S
IUPAC Name
2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCN1C=C(C2=C1N=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F
InChI
InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKey
SFSFIDVAEMDPIP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10337743
ChEBI ID
CHEMBL571858
CAS Number
633304-27-5
TTD ID
D0OG0R
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [2]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Inhibitor [2]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [2]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Inhibitor [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
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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: 8429).
2 Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists. Bioorg Med Chem. 2009 Jul 15;17(14):5153-63.