General Information of the Compound
Compound ID
CP0040196
Compound Name
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
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Synonyms
1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one
1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone
1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
1-[1-[4-(p-F
1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
2-Benzimidazolinone, 1-[1-[3-(p-fluorobenz
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
Component of Innovar
DHBP
Dehidrobenzperidol
Dehydrobenzoperidol
Dehydrobenzperidol
Deidrobenzperidolo
Dihidrobenzperidol
Dridol
Dridol (TN)
Droleptan
Droleptan (TN)
Droperidol
Droperidol (JP15/USP/INN)
Droperidol [USAN:INN:BAN:JAN]
Droperidolo
Droperidolo [DCIT]
Droperidolum
Droperidolum [INN-Latin]
Dropletan (TN)
HS-0065
Halkan
INAPSINE (TN)
Ina.psi.n
Ina.psi.ne
Inappin
Inapsin
Inapsine
Inapsine (TN)
Innovan
Innovar-vet
Ino.psi.n
Inopsin
Inoval
Janssen Brand of Droperidol
Kern Brand of Droperidol
Leptanal
Leptofen
Luorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
McN-JR 4749
McN-JR-4749
Properidol
R 4749
R-4749
R4749
Sintodril
Sintosian
Taylor Brand of Droperidol
Thalamanol
Thalamonal
Vetkalm
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Structure
Formula
C22H22FN3O2
Molecular Weight
379.435
Canonical SMILES
Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O
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InChI
InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
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InChIKey
RMEDXOLNCUSCGS-UHFFFAOYSA-N
CAS
548-73-2
Physicochemical Property
logP
3.6784
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
58.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 3168
SID: 14780048
ChEMBL ID
CHEMBL1108
DrugBank ID
DB00450
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: 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 = 32.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 32.36 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 32.36 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 32.36 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 32.36 nM
Clinical Information about the Compound
Drug 1 ( Droperidol )
Drug Name Droperidol
Company Janssen Pharmaceutica
Indication
Nausea
Approved
Target(s)
Dopamine D2 receptor (D2R)
Binder