Details of the Drug

General Information of Drug (ID: DMDAMBW)

Drug Name

AMPEROZIDE

Synonyms

Amperozide; 75558-90-6; Amperozidum [INN-Latin]; Amperozida [INN-Spanish]; UNII-0M2W3TAG39; FG 5606; 0M2W3TAG39; CHEMBL1079935; 4-(4,4-Bis(p-fluorophenyl)butyl)-N-ethyl-1-piperazinecarboxamide; 4-(4,4-Bis(4-fluorphenyl)butyl)-N-ethyl-1-piperazinecarboxamid; Amperozidum; Amperozida; 4-[4,4-bis(4-fluorophenyl)butyl]-n-ethylpiperazine-1-carboxamide; 1-Piperazinecarboxamide, 4-(4,4-bis(p-fluorophenyl)butyl)-N-ethyl-; Amperozide [INN:BAN]; Amperozide [BAN:INN]; 4-(4,4-Bis(4-fluorophenyl)butyl)-N-ethylpiperazine-1-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Alcohol dependence	6C40.2	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

401.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H29F2N3O
IUPAC Name: 4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide
Canonical SMILES: CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
InChIKey: NNAIYOXJNVGUOM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 73333
ChEBI ID: CHEBI:92913
CAS Number: 75558-90-6
DrugBank ID: DB08927
TTD ID: D0V4JO

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	Modulator	[2]

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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

Alcohol dependence

ICD Disease Classification

6C40.2

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000669)
2	Action of the 5-HT2A antagonist amperozide on alcohol-induced poikilothermia in rats. Pharmacol Biochem Behav. 1998 Jan;59(1):91-5.