General Information of the Compound
Compound ID
CP0046703
Compound Name
1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one
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Synonyms
1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone
1-(2-(4-(5-Chloro-1-(p-fluorophenyl)indol-3-yl)piperidino)ethyl)-2-imidazolidinone
1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone
1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one
1-[2-[4-[5-Chloro-1-(p-fluorophenyl)indol-3-yl]piperidino]ethyl]-2-imidazolidinone
1-[2-[4-[5-chloro-1-(4-fluorophenyl)-indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Lu 23-174
Lu-23-174
S-1991
SerLect
SerLect (TN)
Serdolect
Serdolect (TN)
Serlect (TN)
Sertindol
Sertindol [INN-Spanish]
Sertindole
Sertindole (USAN/INN)
Sertindole [USAN:INN]
Sertindole hydrochloride
Sertindolum
Sertindolum [INN-Latin]
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Structure
Formula
C24H26ClFN4O
Molecular Weight
440.95
Canonical SMILES
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
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InChI
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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InChIKey
GZKLJWGUPQBVJQ-UHFFFAOYSA-N
CAS
106516-24-9
Physicochemical Property
logP
4.6276
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
40.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 60149
SID: 12014521
ChEMBL ID
CHEMBL12713
DrugBank ID
DB06144
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 33 nM
   TI
   LI
   LO
   TS
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 56 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.2 nM
   TI
   LI
   LO
   TS
CL000027 tsA201 Homo sapiens (Human)  1
1
Ki = 1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.3 nM
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 0.51 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT02060, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
Ki = 0.37 nM
   TI
   LI
   LO
   TS
Protein ID: PT01849, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
Ki = 0.33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.33 nM
Protein ID: PT02075, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.66 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.66 nM
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 82700 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 = 0.45 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7.4 nM
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 = 2.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8.2 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 21 nM
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 = 0.51 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 570 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 2.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 3 nM
   TI
   LI
   LO
   TS
3
IC50 = 10 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 14.13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM
2 IC50 = 10 nM
3 IC50 = 14.7 nM
4 IC50 = 14.79 nM
Clinical Information about the Compound
Drug 1 ( Sertindole )
Drug Name Sertindole
Indication
Schizophrenia
Withdrawn from market
Target(s)
Dopamine D2 receptor (D2R)
Antagonist