| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 22 | Yes |
Popular Name: Fluoxetine hydrochloride Fluoxetine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 114247-06-2 , 54910-89-3 , 54910-89-3; 56296-78-7; 59333-67-4 , 56296-78-7 , 57226-07-0 , 59333-67-4 , [59333-67-4]
(+) or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
(+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
(+/-)-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
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
(S)-3[4(Trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine hydrochloride
3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
56296-78-7; D00823; Fluoxetine hydrochloride (JAN/USP); Prozac (TN)
59333-67-4; Fluoxetine hydrochloride; Prestwick_798
Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-
Benzenepropanamine, N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-
Benzenepropanamine, N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-, (.+/-.)-
Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-
benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-
Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, (+/-)-
benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, hydrochloride
Benzenepropanamine, N-methyl-¦Ã-[4-(trifluoromethyl)phenoxy]-
CPD000058452; Fluoxetine hydrochloride; SAM002589965
CPD000058452; Prozac; SAM002589965
dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Fluoxetina [INN-Spanish];Fluoxetina [Spanish];Fluoxetinum [INN-Latin]
fluoxetina; fluoxetine; fluoxetinum
Fluoxetinum [INN-Latin];Fluoxetina [Spanish];Fluoxetina [INN-Spanish]
Methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine
Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine
methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amine hydrochloride
N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine
N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.53 | 9.16 | -43.81 | 2 | 2 | 1 | 26 | 310.339 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.70e-03 g/l | DrugBank-experimental |
| MP | 158-159° | Matrix Scientific |
| MP | 159 | TCI |
| Target | 5-HT Receptor | Selleck Chemicals |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| biological_use | Antidepressant | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antidepressant; Psychostimulant | ZereneX Building Blocks |
| mechanism | Blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT(1A) autoreceptors. | IBScreen Bioactives |
| Patent Database Links | EP0814084; EP0908186; EP0924205; EP1078637; EP1088550; EP1181933; EP1258253; EP1308435; EP1454901; EP1491541; EP1514559; EP1547650; EP1561461; EP1600156; EP1627639; EP1629835; EP1655029; EP1656938; EP1666465; EP1671628; EP1671972; EP1700601; EP1723957; EP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | MECP2_RAT; NRF5_CAEEL; NRF6_CAEEL | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-1320; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| biological_use | Psychostimulant | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-1320; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Therapy | Selective serotonin reuptake inhibitor | SMDC Iconix |
| mechanism | Selective serotonin-reuptake inhibitor (SSRI). | IBScreen Bioactives |
| biological_use | Used for the treatment of premenstrual dysphoric disorder. | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1F-2-E | Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 15 | 0.50 | Binding ≤ 10μM |
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 130 | 0.44 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1920 | 0.36 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1920 | 0.36 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1920 | 0.36 | Binding ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 7300 | 0.33 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 5820 | 0.33 | Binding ≤ 10μM |
| Q63380-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.36 | Binding ≤ 10μM |
| Q9WTR4-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 176 | 0.43 | Binding ≤ 10μM |
| SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 563 | 0.40 | Binding ≤ 10μM |
| SC6A3-3-E | Dopamine Transporter (cluster #3 Of 3), Eukaryotic | Eukaryotes | 11 | 0.51 | Binding ≤ 10μM |
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 8300 | 0.32 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.52 | Functional ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 605 | 0.40 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.35 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.34 | Functional ≤ 10μM |
| Z50466-4-O | Trypanosoma Cruzi (cluster #4 Of 8), Other | Other | 7000 | 0.33 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 33 | 0.48 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 8 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 130 | 0.44 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 605 | 0.40 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 784 | 0.39 | Binding ≤ 1μM |
| SC6A3_MOUSE | Q61327 | Dopamine Transporter, Mouse | 10.8 | 0.51 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 457.08819 | 0.40 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 240 | 0.42 | Binding ≤ 1μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 143 | 0.44 | Binding ≤ 1μM |
| SC6A2_MOUSE | O55192 | Norepinephrine Transporter, Mouse | 85 | 0.45 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 15 | 0.50 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 15 | 0.50 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 15 | 0.50 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 15 | 0.50 | Binding ≤ 1μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 2 | 0.55 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 0.72 | 0.58 | Binding ≤ 1μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 473 | 0.40 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 130 | 0.44 | Binding ≤ 10μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 2620 | 0.36 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1920 | 0.36 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1920 | 0.36 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1920 | 0.36 | Binding ≤ 10μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 784 | 0.39 | Binding ≤ 10μM |
| SC6A3_MOUSE | Q61327 | Dopamine Transporter, Mouse | 10.8 | 0.51 | Binding ≤ 10μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 1900 | 0.36 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1513.56125 | 0.37 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 7300 | 0.33 | Binding ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 143 | 0.44 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 1020 | 0.38 | Binding ≤ 10μM |
| SC6A2_MOUSE | O55192 | Norepinephrine Transporter, Mouse | 85 | 0.45 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 15 | 0.50 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 15 | 0.50 | Binding ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 2 | 0.55 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 0.72 | 0.58 | Binding ≤ 10μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 473 | 0.40 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 33 | 0.48 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.32 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 193 | 0.43 | Functional ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 130 | 0.44 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 7000 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine clearance from the synaptic cleft | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events | |
| Histamine receptors | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Serotonin receptors | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin | |
| Voltage gated Potassium channels |
