General Information of Drug (ID: DMQSDM7)

Drug Name
FLUANISONE
Synonyms
Fluanisone; Haloanisone; Haloanison; Sedalande; Fluanison; 1480-19-9; Anti-Pica; Metorin; MD 2028; NSC 170977; R 2028; 2028 MD; R 2167; Fluanisonum [INN-Latin]; Fluanisona [INN-Spanish]; Fluanisone [INN:BAN:DCF]; UNII-1D0W98U1I4; EINECS 216-038-8; BRN 0707524; 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one; CHEMBL58792; 4-(4-(o-Methoxyphenyl)-1-piperazinyl)-p-fluorobutyrophenone; 4'-Fluoro-4-(4-(o-methoxyphenyl)-1-piperazinyl)butyrophenone; C21H25FN2O2; 1D0W98U1I4; Butyrophenone, 4'-fluoro-4-[4-(o-methoxyphenyl
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) 356.4
Topological Polar Surface Area (xlogp) 3.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H25FN2O2
IUPAC Name
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Canonical SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
InChIKey
IRYFCWPNDIUQOW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15139
CAS Number
1480-19-9
DrugBank ID
DB13665
TTD ID
D01TOU

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 [1]
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [1]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
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
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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