General Information of the Compound
Compound ID
CP0044037
Compound Name
N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine;hydrochloride
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Synonyms
Adazine
Fluopromazine
Fluopromazine monohydrochloride
Fluorofen
Neoprin
Nivoman
Psyquil
Siquil
Trifluopromazine
Trifluopromazine hydrochloride
Triflupromazina
Triflupromazina [INN-Spanish]
Triflupromazine
Triflupromazine (USP/INN)
Triflupromazine [INN]
Triflupromazinum [INN-Latin]
Triflupromazinum;Vesprin
Vesprin (TN)
Vetame
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Structure
Formula
C18H19F3N2S
Molecular Weight
352.425
Canonical SMILES
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
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InChI
InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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InChIKey
XSCGXQMFQXDFCW-UHFFFAOYSA-N
CAS
17146-88-2
146-54-3
Physicochemical Property
logP
5.2598
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 5568
SID: 14925496
ChEMBL ID
CHEMBL570
DrugBank ID
DB00508
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 14125.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 18492.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Triflupromazine )
Drug Name Triflupromazine
Company Bristol-Myers Squibb
Indication
Psychotic disorder
Approved
Target(s)
5-HT 2B receptor (HTR2B)
 Target Info 
Antagonist
Drug 2 ( Triflupromazine )
Drug Name Triflupromazine
Company Bristol-Myers Squibb
Indication
Schizophrenia
Withdrawn from market
Severe acute respiratory syndrome (SARS)
Investigative
Middle East Respiratory Syndrome (MERS)
Investigative