General Information of the Compound
Compound ID
CP0026495
Compound Name
CHEBI:51137
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Synonyms
1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine
2-Methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine
Bolvidon (TN)
Mianserin
Mianserin (INN)
Mianserin Monohydrochloride
Mianserin [INN:BAN]
Mianserina
Mianserina [INN-Spanish]
Mianserine
Mianserine [INN-French]
Mianserinum
Mianserinum [INN-Latin]
Mianseryna
Mianseryna [Polish]
Norval
Norval (TN)
Tolvan
Tolvin (TN)
Tolvon
Tolvon (TN)
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Structure
Formula
C18H20N2
Molecular Weight
264.372
Canonical SMILES
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
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InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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InChIKey
UEQUQVLFIPOEMF-UHFFFAOYSA-N
CAS
24219-97-4
Physicochemical Property
logP
3.0839
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 4184
SID: 14848151
ChEMBL ID
CHEMBL6437
DrugBank ID
DB06148
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: PT00825, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 10.47 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
Ki = 1.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 2.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 2.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 3.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20.89 nM
2 Ki = 4.3 nM
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7.413 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3.8 nM
2 Ki = 4.4 nM
3 Ki = 10 nM
Protein ID: PT01366, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1524 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 14581 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01206, Histamine H1 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3.388 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.7 nM
Clinical Information about the Compound
Drug 1 ( Mianserin )
Drug Name Mianserin
Company GlaxoSmithKline
Indication
Depression
Approved