Details of the Drug

General Information of Drug (ID: DMS30KU)

Drug Name
(R)-Norfluoxetine
Synonyms
130194-43-3; UNII-05UQ1299DN; (R)-3-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine; CHEMBL446084; 05UQ1299DN; (R)-3-(4-Trifluoromethylphenoxy)-3-phenylpropylamine; Norfluoxetine, (R)-; (3r)-3-Phenyl-3-[4-(Trifluoromethyl)phenoxy]propan-1-Amine; R-Norfluoxetine; SCHEMBL3750512; CTK8E9557; MolPort-028-616-048; ZINC1645453; Benzenepropanamine, gamma-(4-(trifluoromethyl)phenoxy)-, (gammaR)-; BDBM50254791; 9049AH; AKOS027384575; NE64378; AJ-28674; RT-014016; FT-0673087; J-005760
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
Chemical Identifiers
Formula
C16H16F3NO
IUPAC Name
(3R)-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-/m1/s1
InChIKey
WIQRCHMSJFFONW-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
9797657
ChEBI ID
CHEMBL446084
CAS Number
130194-43-3
TTD ID
D02ENH
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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]
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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.