Details of the Drug

General Information of Drug (ID: DM6ARQF)

Drug Name
1-(4-fluorophenyl)-2-pyrrolidin-1-yl-pentan-1-one
Synonyms
CHEMBL203640; 1-(4-fluorophenyl)-2-pyrrolidin-1-yl-pentan-1-one; 4-Fluoro-alpha-pvp; FPVP; SCHEMBL4938098; BDBM50182583; 4'-Fluoro-alpha-pyrrolidinopentiophenone; 1-(4-Fluorophenyl)-2-pyrrolizinopentane-1-one; 4-Fluoro-alpha-2-(1-pyrrolidinyl)-valerophenone; 1-(4-fluorophenyl)-2-(1-pyrrolidinyl)-1-pentanone; 2-(Pyrrolidin-1-yl)-1-(4-fluorophenyl)pentan-1-one; 1-Pentanone, 1-(4-fluorophenyl)-2-(1-pyrrolidinyl)-
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) 249.32
Topological Polar Surface Area (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H20FNO
IUPAC Name
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpentan-1-one
Canonical SMILES
CCCC(C(=O)C1=CC=C(C=C1)F)N2CCCC2
InChI
InChI=1S/C15H20FNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKey
BQLSUBYYRRZHRK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11322641
CAS Number
850352-62-4
TTD ID
D0L6RY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Inhibitor [1]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_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 transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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4 Invivo antioxidant status: a putative target of antidepressant action. Prog Neuropsychopharmacol Biol Psychiatry. 2009 Mar 17;33(2):220-8.
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6 Clinically relevant drug interactions with new generation antidepressants and antipsychotics. Ther Umsch. 2009 Jun;66(6):485-92.
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10 Dasotraline for the Treatment of Attention-Deficit/Hyperactivity Disorder: A Randomized, Double-Blind, Placebo-Controlled, Proof-of-Concept Trial in Adults. Neuropsychopharmacology. 2015 Nov;40(12):2745-52.
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12 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
13 Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7.
14 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
15 Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate. J Med Chem. 2007 May 31;50(11):2718-31.
16 Rapid detection of Parkinson's disease by SPECT with altropane: a selective ligand for dopamine transporters. Synapse. 1998 Jun;29(2):128-41.
17 Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
18 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. (Target id: 927).