Details of the Drug

General Information of Drug (ID: DMFHT3U)

Drug Name
LY334362
Synonyms LY-334362; LY 334362
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) 372.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H20N4O2
IUPAC Name
2-[(Z)-[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC=CC(=C3)/C=N\\N=C(N)N
InChI
InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)/b25-14-
InChIKey
ROCDIHAUKUGXMY-QFEZKATASA-N
Cross-matching ID
PubChem CID
56947079
TTD ID
D0A2GI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
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: 231).
2 A novel class of 5-HT2A receptor antagonists: aryl aminoguanidines. Life Sci. 1996;59(15):1259-68.