General Information of the Compound
Compound ID
CP0066128
Compound Name
(2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiazine
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Synonyms
A-91033
Antiallersin
Aprobit
Atosil (TN)
Avomine
Avomine (TN)
Camergan
Dimapp
Dimethylamino-isopropyl-phenthiazin
Dimethylamino-isopropyl-phenthiazin [German]
Diphergan
Diprazin
Diprazine
Diprozin
Fargan
Fargan (TN)
Farganesse (TN)
Fenazil
Fenetazina
Fenetazine
Genphen
Hiberna
Histargan
Iergigan
Isophenergan
Isopromethazine
Lercigan
Lergigan
Lergigan (TN)
Lilly 01516
Lilly 1516
Metaryl
Pelpica
Phargan
Phenargan
Phenergan (TN)
Phenerzine
Phenoject-50
Phensedyl
Pilothia
Pilpophen
Pipolphene
Pro-50
Proazaimine
Proazamine
Procit
Promacot
Promazinamide
Promergan
Promesan
Prometasin
Prometazin
Prometazina
Prometazina [INN-Spanish]
Prometazine
Prometh
Promethacon
Promethaine
Promethazin
Promethazine
Promethazine (JAN/INN)
Promethazine [INN:BAN]
PromethazineHcl
Promethazinum
Promethazinum [INN-Latin]
Promethegan
Promethegan (TN)
Promethiazine
Promezathine
Prorex
Protazine
Prothazin
Prothazine
Prothiazine (TN)
Provigan
Pyrethia
Pyrethiazine
RP 3277
Receptozine (TN)
Remsed
Romergan
Romergan (TN)
Rumergan
SKF 1498
Tanidil
Thiergan
Valergine
Vallergine
WY 509
Zipan-25
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Structure
Formula
C17H20N2S
Molecular Weight
284.428
Canonical SMILES
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
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InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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InChIKey
PWWVAXIEGOYWEE-UHFFFAOYSA-N
CAS
73745-50-3
38878-40-9
60-87-7
Physicochemical Property
logP
4.2394
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 4927
SID: 14848899
ChEMBL ID
CHEMBL643
DrugBank ID
DB01069
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: PT02591, Major prion protein
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000235 ScN2a
 Cell Line Info 
Mus musculus (Mouse)  1
1
EC50 = 8000 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 = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 35100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 18000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Promethazine )
Drug Name Promethazine
Company Wyeth Pharmaceuticals
Indication
Nausea
Approved
Target(s)
Histamine H1 receptor (H1R)
 Target Info 
Antagonist
Drug 2 ( Promethazine )
Drug Name Promethazine
Company Wyeth Pharmaceuticals
Indication
Middle East Respiratory Syndrome (MERS)
Investigative
Severe acute respiratory syndrome (SARS)
Investigative