General Information of the Compound
Compound ID
CP0035258
Compound Name
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
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Synonyms
(+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine;(+/-)-Fluoxetine
(+/-)-N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
(+/-)-N-Methyl-3-p-(p-trifluoromethylphenoxy)-3-phenylpropylamine
(+/-)-N-Methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine
(+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine]
(+/-)-N-Methyl-gamma-[4-(trifluoromethyl)phenoxy]benzenepropanamine
3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Animex-On
Dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Eufor
Floxetine
Fluoxetin
Fluoxetina
Fluoxetina [INN-Spanish]
Fluoxetina [Spanish]
Fluoxetine
Fluoxetine (Prozac)
Fluoxetine (TN)
Fluoxetine (USAN/INN)
Fluoxetine Hcl
Fluoxetine [USAN:INN:BAN]
Fluoxetinum
Fluoxetinum [INN-Latin]
Fluval
Fontex
Lilly-110140
Methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine
Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine
N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine
Portal
Prozac (TN)
Prozac Weekly
Pulvules
Reconcile
Reneuron
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Structure
Formula
C17H18F3NO
Molecular Weight
309.331
Canonical SMILES
CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
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InChI
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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InChIKey
RTHCYVBBDHJXIQ-UHFFFAOYSA-N
CAS
57226-07-0
52341-67-0
54910-89-3
Physicochemical Property
logP
4.435
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 3386
SID: 14874184
ChEMBL ID
CHEMBL41
DrugBank ID
DB00472
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.31 nM
   TI
   LI
   LO
   TS
Protein ID: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 7300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7300 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1513.56 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 457.09 nM
3 IC50 = 1513.56 nM
4 IC50 > 10000 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 18492.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  7
1
IC50 = 4400 nM
   TI
   LI
   LO
   TS
2
IC50 = 6000 nM
   TI
   LI
   LO
   TS
3
IC50 = 9120.11 nM
   TI
   LI
   LO
   TS
4
IC50 = 18400 nM
   TI
   LI
   LO
   TS
5
IC50 = 19500 nM
   TI
   LI
   LO
   TS
6
Ki = 3764 nM
   TI
   LI
   LO
   TS
7
Ki = 6670 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 3600 nM
2 Ki = 1900 nM
3 Ki = 6000 nM
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000882 MDCK-Net6 Canis lupus familiaris (Dog)  1
1
IC50 = 563 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  2
1
IC50 = 563 nM
   TI
   LI
   LO
   TS
2
IC50 = 2535 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  7
1
IC50 = 1020 nM
   TI
   LI
   LO
   TS
2
IC50 = 2000 nM
   TI
   LI
   LO
   TS
3
IC50 = 4410 nM
   TI
   LI
   LO
   TS
4
IC50 = 5200 nM
   TI
   LI
   LO
   TS
5
IC50 = 6309.57 nM
   TI
   LI
   LO
   TS
6
Ki = 1394 nM
   TI
   LI
   LO
   TS
7
Ki = 1560 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 240 nM
2 Ki = 440 nM
3 Ki = 2000 nM
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  17
1
IC50 = 2.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 3.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 3.58 nM
   TI
   LI
   LO
   TS
4
IC50 = 5.012 nM
   TI
   LI
   LO
   TS
5
IC50 = 5.2 nM
   TI
   LI
   LO
   TS
6
IC50 = 7 nM
   TI
   LI
   LO
   TS
7
IC50 = 7.2 nM
   TI
   LI
   LO
   TS
8
IC50 = 7.3 nM
   TI
   LI
   LO
   TS
9
IC50 = 8.6 nM
   TI
   LI
   LO
   TS
10
IC50 = 16 nM
   TI
   LI
   LO
   TS
11
IC50 = 47 nM
   TI
   LI
   LO
   TS
12
IC50 = 150 nM
   TI
   LI
   LO
   TS
13
IC50 = 281.84 nM
   TI
   LI
   LO
   TS
14
Ki = 1.1 nM
   TI
   LI
   LO
   TS
15
Ki = 1.4 nM
   TI
   LI
   LO
   TS
16
Ki = 31 nM
   TI
   LI
   LO
   TS
17
Ki = 98 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 5.012 nM
   TI
   LI
   LO
   TS
CL000232 JAR Homo sapiens (Human)  4
1
IC50 = 9.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 10 nM
   TI
   LI
   LO
   TS
3
IC50 = 32.4 nM
   TI
   LI
   LO
   TS
4
IC50 = 39.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.58 nM
2 IC50 = 180 nM
3 Kd = 0.81 nM
4 Ki = 0.72 nM
5 Ki = 2 nM
6 Ki = 2.2 nM
7 Ki = 3.17 nM
8 Ki = 3.5 nM
9 Ki = 48 nM
Clinical Information about the Compound
Drug 1 ( Fluoxetine )
Drug Name Fluoxetine
Company Eli Lilly
Indication
Depression
Approved
Target(s)
Serotonin transporter (SERT)
Modulator
Drug 2 ( Fluoxetine )
Drug Name Fluoxetine
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 3