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]
Affected Organisms
Humans and other mammals
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
CHEMBL1079935
CAS Number
75558-90-6
UNII
0M2W3TAG39
DrugBank ID
DB08927
TTD ID
D0V4JO
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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 Modulator [2]
Molecular Interaction Atlas (MIA) 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) 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.