Details of the Drug

General Information of Drug (ID: DM8ZTPF)

Drug Name
(S)-Norfluoxetine
Synonyms
126924-38-7; SEPROXETINE; UNII-25CO3X0R31; (S)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE; CHEMBL465123; (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; 25CO3X0R31; (S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine; Seproxetine [INN]; S-Norfluoxetine; AC1MHW5Z; SCHEMBL272873; ZINC4531; CTK8E9555; MolPort-005-941-621; 9173AH; BDBM50254790; AKOS027384574; DB06731; AJ-08214; RT-014029; FT-0673089; NFL_296.1257_14.5; J-005451
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) 295.3
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 4 - 16 days [2]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Fracture Not Available SPARC ON OTPN90H0 [3]
Chemical Identifiers
Formula
C16H16F3NO
IUPAC Name
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Canonical SMILES
C1=CC=C(C=C1)[C@H](CCN)OC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChIKey
WIQRCHMSJFFONW-HNNXBMFYSA-N
Cross-matching ID
PubChem CID
3058751
ChEBI ID
CHEMBL465123
CAS Number
126924-38-7
UNII
25CO3X0R31
DrugBank ID
DB06731
TTD ID
D08AWN
VARIDT ID
DR00906
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
SPARC (SPARC) OTPN90H0 SPRC_HUMAN Drug Response [3]
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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
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Jan 1;17(1):337-43.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.