Details of the Drug

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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

356.4

Logarithm of the Partition Coefficient (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	2-Phenylpyrroles as conformationally restricted benzamide analogues. A new class of potential antipsychotics. 1. J Med Chem. 1987 Nov;30(11):2099-104.