General Information of the Compound
Compound ID
CP0027419
Compound Name
1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
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Synonyms
1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone
1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine
1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone
1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
ASTA Medica Brand of Pimozide
Antalon
Janssen Brand of Pimozide;Orap forte
McN-JR 6238
McN-JR-6238
Neoperidole
Opiran
Orap
Orap (TN)
P 1793
Pharmascience Brand of Pimozide
Pimozida
Pimozida [INN-Spanish]
Pimozide
Pimozide (JAN/USP/INN)
Pimozide [USAN:INN:BAN:JAN]
Pimozidum
Pimozidum [INN-Latin]
Primozida
Primozida [INN-Spanish]
R 6238
R-6238
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Structure
Formula
C28H29F2N3O
Molecular Weight
461.556
Canonical SMILES
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
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InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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InChIKey
YVUQSNJEYSNKRX-UHFFFAOYSA-N
CAS
2062-78-4
Physicochemical Property
logP
5.857
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
41.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 16362
SID: 14882544
ChEMBL ID
CHEMBL1423
DrugBank ID
DB01100
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 2900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01685, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS
Protein ID: PT06079, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 > 50000 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 ~ 16360.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 3.02 nM
   TI
   LI
   LO
   TS
2
IC50 = 18 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
2
IC50 = 50.12 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 18.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM
2 IC50 = 50.12 nM
3 IC50 = 54.6 nM
4 IC50 = 54.95 nM
5 IC50 = 1700 nM
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 = 16481.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 340 nM
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 34200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pimozide )
Drug Name Pimozide
Company Janssen Pharmaceutica
Indication
Schizophrenia
Approved
Target(s)
Dopamine D2 receptor (D2R)
Antagonist