General Information of the Compound
Compound ID
CP0046637
Compound Name
2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol
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Synonyms
1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina
1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]
1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine
1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine
1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, trihydrochloride
2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol
2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine
2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine
2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine
2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine
2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine
2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;2-{4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol
4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol
4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol
4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
Apo-Perphenazine
Chlorperphenazine
Chlorpiprazine
Decentan
Emesinal
Etaperazin
Etaperazine
Ethaperazine
F-mon
Fentazin;PZC
Gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
Gamma-[4-(beta-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine
P 6402
Perfenazina
Perfenazina [INN-Spanish]
Perfenazina [Italian]
Perfenazine
Perphenan
Perphenazin
Perphenazine
Perphenazine (JP15/USP/INN)
Perphenazine [INN:BAN:JAN]
Perphenazine [Trilafon]
Perphenazine maleate
Perphenazinum
Perphenazinum [INN-Latin]
SCH-3940
Sch 3940
Siquil (TN)
Thilatazin
Tranquisan
Triavil (TN)
Trifaron
Trilafon
Trilifan
Triphenot
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Structure
Formula
C21H26ClN3OS
Molecular Weight
403.979
Canonical SMILES
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
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InChI
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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InChIKey
RGCVKNLCSQQDEP-UHFFFAOYSA-N
CAS
58-39-9
Physicochemical Property
logP
3.9427
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
29.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 4748
SID: 14903848
ChEMBL ID
CHEMBL567
DrugBank ID
DB00850
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 25929 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 20596.2 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 = 7362.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Perphenazine )
Drug Name Perphenazine
Company Schering-Plough Corporation
Indication
Schizophrenia
Approved
Target(s)
Dopamine D2 receptor (D2R)
Antagonist