General Information of the Compound
Compound ID
CP0230943
Compound Name
(S)-Norfluoxetine
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Synonyms
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
(S)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE
(S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine
(S)-Norfluoxetine
126924-38-7
25CO3X0R31
9173AH
AC1MHW5Z
AJ-08214
AKOS027384574
BDBM50254790
CHEMBL465123
CTK8E9555
DB06731
FT-0673089
J-005451
MolPort-005-941-621
NFL_296.1257_14.5
RT-014029
S-Norfluoxetine
SCHEMBL272873
SEPROXETINE
Seproxetine [INN]
UNII-25CO3X0R31
ZINC4531
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Structure
Formula
C16H16F3NO
Molecular Weight
295.304
Canonical SMILES
NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
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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
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InChIKey
WIQRCHMSJFFONW-HNNXBMFYSA-N
Physicochemical Property
logP
4.1743
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3058751
SID: 14775892
ChEMBL ID
CHEMBL465123
DrugBank ID
DB06731
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6488 nM
   TI
   LI
   LO
   TS
2
Ki = 4544 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 2806 nM
   TI
   LI
   LO
   TS
2
Ki = 6186 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 46 nM
   TI
   LI
   LO
   TS
2
Ki = 50 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (S)-Norfluoxetine )
Drug Name (S)-Norfluoxetine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Dopamine transporter (DAT)
Inhibitor