General Information of the Compound
Compound ID
CP0047409
Compound Name
2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride
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Synonyms
Dapotum
10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine
2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol
69-23-8
Anatensol (TN)
Apo-Fluphenazine
Dapotum
Dapotum (TN)
Dapotum D (TN)
Dapotum Injektion (TN)
Decanoate (TN)
Deconoate (TN)
Elinol
Enanthate (TN)
FLUPHENAZINE
Fludecate (TN)
Flufenazin
Flufenazina
Flufenazina [DCIT]
Flunanthate (TN)
Fluorfenazine
Fluorophenazine
Fluorphenazine
Fluphenazine
Fluphenazine (INN)
Fluphenazine [INN:BAN]
Fluphenazine hydrochloride
Fluphenazinum
Fluphenazinum [INN-Latin]
Ftorphenazine
HSDB 3334
Hydrochloride, Fluphenazine
Lyogen (TN)
Modecate (TN)
Moditen (TN)
Moditen (Tabl or elixir)
Moditen Enanthate Injection (TN)
Moditen Hcl
Omca (TN)
Pacinol
Permitil (TN)
Permitil Concentrate
Phthorphenazine
Prolixin
Prolixin (TN)
Prolixin Concentrate
Prolixine
S94
SQ 4918
Sediten (TN)
Selecten (TN)
Sevinol
Sevinol (TN)
Sinqualone (TN)
Siqualine
Siqualon
Trancin (TN)
Triflumethazine
UNII-S79426A41Z
Vespazine
Yespazine
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Structure
Formula
C22H26F3N3OS
Molecular Weight
437.531
Canonical SMILES
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
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InChI
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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InChIKey
PLDUPXSUYLZYBN-UHFFFAOYSA-N
CAS
47646-09-3
69-23-8
Physicochemical Property
logP
4.3081
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
29.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 3372
SID: 14832617
ChEMBL ID
CHEMBL726
DrugBank ID
DB00623
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 5700 nM
   TI
   LI
   LO
   TS
2
IC50 = 6500 nM
   TI
   LI
   LO
   TS
3
IC50 = 10400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 179 nM
   TI
   LI
   LO
   TS
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 21 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.44 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.21 nM
   TI
   LI
   LO
   TS
Protein ID: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 40 nM
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
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 = 16481.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Fluphenazine )
Drug Name Fluphenazine
Company Bristol-Myers Squibb
Indication
Psychotic disorder
Approved
Target(s)
5-HT 1B receptor (HTR1B)
Modulator
Drug 2 ( Fluphenazine )
Drug Name Fluphenazine
Company Bristol-Myers Squibb
Indication
Severe acute respiratory syndrome (SARS)
Investigative
Middle East Respiratory Syndrome (MERS)
Investigative