General Information of the Compound
Compound ID
CP0008601
Compound Name
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl)
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Synonyms
Aldo
Aloperidin
Aloperidin (TN)
Aloperidol
Aloperidolo
Aloperidolo [DCIT]
Aloperidolo [Italian]
Aloperidon
Apo-Haloperidol
Bioperidolo
Bioperidolo (TN)
Brotopon
Brotopon (TN)
Dozic
Dozic (TN)
Dozix
Duraperidol (TN)
Einalon S
Einalon S (TN)
Eukystol
Eukystol (TN)
Fortunan
Galoperidol
H 1512
Haldol
Haldol (TN)
Haldol La
Haldol Solutab
Halidol
Halojust
Halol
Halopal
Haloperido
Haloperidol
Haloperidol (JP15/USP)
Haloperidol (JP15/USP/INN)
Haloperidol [USAN:INN:BAN:JAN]
Haloperidolum
Haloperidolum [INN-Latin]
Halopidol
Halopoidol
Halosten
Halosten (TN)
Keselan
Keselan (TN)
Lealgin compositum
Linton
Linton (TN);Novo-Peridol
McN-JR-1625
Mixidol
Pekuces
Peluces
Peluces (TN)
Peridol
Pernox
Pms Haloperidol
R 1625
R-1625
Serenace
Serenace (TN)
Serenase
Serenase (TN)
Serenelfi
Sernas
Sernel
Sigaperidol
Sigaperidol (TN)
Ulcolind
Uliolind
Vesalium
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Structure
Formula
C21H23ClFNO2
Molecular Weight
375.871
Canonical SMILES
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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InChIKey
LNEPOXFFQSENCJ-UHFFFAOYSA-N
CAS
52-86-8
Physicochemical Property
logP
4.4256
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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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Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3559
SID: 14902191
ChEMBL ID
CHEMBL54
DrugBank ID
DB00502
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1703 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2800 nM
2 Ki = 3600 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000234 AU-BEK Bos taurus (Bovine)  2
1
IC50 = 288 nM
   TI
   LI
   LO
   TS
2
Ki = 108 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 22.91 nM
   TI
   LI
   LO
   TS
2
Ki = 89 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 25 nM
2 Ki = 100 nM
3 Ki = 120 nM
4 Ki = 130 nM
5 Ki = 165.96 nM
6 Ki = 435 nM
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1083 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6000 nM
2 Ki > 5000 nM
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 316.23 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 408 nM
   TI
   LI
   LO
   TS
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.166 nM
2 Ki = 49 nM
3 Ki = 82 nM
4 Ki = 107 nM
5 Ki = 120 nM
6 Ki = 270 nM
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 38 nM
2 Ki = 58 nM
3 Ki = 260 nM
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  10
1
IC50 = 0.16 nM
   TI
   LI
   LO
   TS
2
Kd = 0.4898 nM
   TI
   LI
   LO
   TS
3
Ki = 0.44 nM
   TI
   LI
   LO
   TS
4
Ki = 0.4677 nM
   TI
   LI
   LO
   TS
5
Ki = 1.4 nM
   TI
   LI
   LO
   TS
6
Ki = 1.6 nM
   TI
   LI
   LO
   TS
7
Ki = 1.862 nM
   TI
   LI
   LO
   TS
8
Ki = 3.25 nM
   TI
   LI
   LO
   TS
9
Ki = 4 nM
   TI
   LI
   LO
   TS
10
Ki > 217 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  9
1
IC50 = 550 nM
   TI
   LI
   LO
   TS
2
Ki = 0.85 nM
   TI
   LI
   LO
   TS
3
Ki = 1 nM
   TI
   LI
   LO
   TS
4
Ki = 1.1 nM
   TI
   LI
   LO
   TS
5
Ki = 1.4 nM
   TI
   LI
   LO
   TS
6
Ki = 1.9 nM
   TI
   LI
   LO
   TS
7
Ki = 2 nM
   TI
   LI
   LO
   TS
8
Ki = 4.5 nM
   TI
   LI
   LO
   TS
9
Ki = 5.9 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  2
1
Ki = 0.16 nM
   TI
   LI
   LO
   TS
2
Ki = 0.44 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  16
1
Ki = 0.25 nM
   TI
   LI
   LO
   TS
2
Ki = 0.42 nM
   TI
   LI
   LO
   TS
3
Ki = 0.81 nM
   TI
   LI
   LO
   TS
4
Ki = 0.84 nM
   TI
   LI
   LO
   TS
5
Ki = 0.85 nM
   TI
   LI
   LO
   TS
6
Ki = 0.87 nM
   TI
   LI
   LO
   TS
7
Ki = 0.96 nM
   TI
   LI
   LO
   TS
8
Ki = 1.1 nM
   TI
   LI
   LO
   TS
9
Ki = 1.4 nM
   TI
   LI
   LO
   TS
10
Ki = 1.5 nM
   TI
   LI
   LO
   TS
11
Ki = 2 nM
   TI
   LI
   LO
   TS
12
Ki = 3 nM
   TI
   LI
   LO
   TS
13
Ki = 3.3 nM
   TI
   LI
   LO
   TS
14
Ki = 4.8 nM
   TI
   LI
   LO
   TS
15
Ki = 5.012 nM
   TI
   LI
   LO
   TS
16
Ki = 18 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.263 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  2
1
Ki = 4.2 nM
   TI
   LI
   LO
   TS
2
Ki = 6400 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 8.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM
2 IC50 = 4.1 nM
3 IC50 = 4.9 nM
4 Ki = 0.12 nM
5 Ki = 0.16 nM
6 Ki = 0.5 nM
7 Ki = 0.6026 nM
8 Ki = 0.66 nM
9 Ki = 0.7 nM
10 Ki = 0.74 nM
11 Ki = 0.7943 nM
12 Ki = 0.89 nM
13 Ki = 0.8913 nM
14 Ki = 1 nM
15 Ki = 1.1 nM
16 Ki = 1.122 nM
17 Ki = 1.3 nM
18 Ki = 1.4 nM
19 Ki = 1.5 nM
20 Ki = 1.97 nM
21 Ki = 2 nM
22 Ki = 2.2 nM
23 Ki = 2.5 nM
24 Ki = 2.6 nM
25 Ki = 2.61 nM
26 Ki = 2.84 nM
27 Ki = 3 nM
28 Ki = 3.6 nM
29 Ki = 3.7 nM
30 Ki = 4.2 nM
31 Ki = 5.58 nM
32 Ki = 9.6 nM
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
Ki = 1.01 nM
   TI
   LI
   LO
   TS
2
Ki = 1.63 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 7.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.5 nM
2 IC50 = 5.5 nM
3 IC50 = 7 nM
4 IC50 = 7.5 nM
5 IC50 = 17.5 nM
6 IC50 = 18 nM
7 IC50 = 40 nM
8 Ki = 0.2 nM
9 Ki = 0.47 nM
10 Ki = 0.75 nM
11 Ki = 0.871 nM
12 Ki = 1.4 nM
13 Ki = 1.5 nM
14 Ki = 1.86 nM
15 Ki = 2.6 nM
16 Ki = 2.69 nM
17 Ki = 3.311 nM
18 Ki = 4 nM
19 Ki = 4.365 nM
20 Ki = 4.8 nM
21 Ki = 5.012 nM
Protein ID: PT01734, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.3 nM
   TI
   LI
   LO
   TS
2
Ki = 0.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 0.06 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  4
1
IC50 = 0.25 nM
   TI
   LI
   LO
   TS
2
Ki = 0.96 nM
   TI
   LI
   LO
   TS
3
Ki = 2.2 nM
   TI
   LI
   LO
   TS
4
Ki = 6.4 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  3
1
IC50 = 3.467 nM
   TI
   LI
   LO
   TS
2
Ki = 1.122 nM
   TI
   LI
   LO
   TS
3
Ki = 16.04 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
Ki = 0.9 nM
   TI
   LI
   LO
   TS
2
Ki = 18 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  14
1
Ki = 1.585 nM
   TI
   LI
   LO
   TS
2
Ki = 2 nM
   TI
   LI
   LO
   TS
3
Ki = 2.2 nM
   TI
   LI
   LO
   TS
4
Ki = 2.3 nM
   TI
   LI
   LO
   TS
5
Ki = 2.6 nM
   TI
   LI
   LO
   TS
6
Ki = 2.7 nM
   TI
   LI
   LO
   TS
7
Ki = 6.3 nM
   TI
   LI
   LO
   TS
8
Ki = 6.4 nM
   TI
   LI
   LO
   TS
9
Ki = 6.8 nM
   TI
   LI
   LO
   TS
10
Ki = 7.5 nM
   TI
   LI
   LO
   TS
11
Ki = 7.943 nM
   TI
   LI
   LO
   TS
12
Ki = 8.318 nM
   TI
   LI
   LO
   TS
13
Ki = 16 nM
   TI
   LI
   LO
   TS
14
Ki = 25 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
Ki = 2 nM
   TI
   LI
   LO
   TS
2
Ki = 12.7 nM
   TI
   LI
   LO
   TS
3
Ki = 29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 Ki = 0.69 nM
3 Ki = 2.5 nM
4 Ki = 2.74 nM
5 Ki = 4.4 nM
6 Ki = 4.571 nM
7 Ki = 4.6 nM
8 Ki = 5.5 nM
9 Ki = 7.8 nM
10 Ki = 10 nM
11 Ki = 10.4 nM
12 Ki = 11.48 nM
13 Ki = 13.5 nM
14 Ki = 16 nM
15 Ki = 21 nM
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
Ki = 5.04 nM
   TI
   LI
   LO
   TS
2
Ki = 5.57 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.4 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
Ki = 14.3 nM
   TI
   LI
   LO
   TS
2
Ki = 18 nM
   TI
   LI
   LO
   TS
3
Ki = 47 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM
2 Ki = 28 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 2.3 nM
   TI
   LI
   LO
   TS
3
Ki = 5 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  14
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
2
Ki = 1 nM
   TI
   LI
   LO
   TS
3
Ki = 2.1 nM
   TI
   LI
   LO
   TS
4
Ki = 2.2 nM
   TI
   LI
   LO
   TS
5
Ki = 2.3 nM
   TI
   LI
   LO
   TS
6
Ki = 3.3 nM
   TI
   LI
   LO
   TS
7
Ki = 5.9 nM
   TI
   LI
   LO
   TS
8
Ki = 6 nM
   TI
   LI
   LO
   TS
9
Ki = 6.026 nM
   TI
   LI
   LO
   TS
10
Ki = 6.3 nM
   TI
   LI
   LO
   TS
11
Ki = 6.31 nM
   TI
   LI
   LO
   TS
12
Ki = 7.3 nM
   TI
   LI
   LO
   TS
13
Ki = 42 nM
   TI
   LI
   LO
   TS
14
Ki = 103 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
Ki = 2.2 nM
   TI
   LI
   LO
   TS
2
Ki = 3.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.3 nM
2 IC50 = 5 nM
3 IC50 = 6.5 nM
4 Ki = 0.74 nM
5 Ki = 1 nM
6 Ki = 1.4 nM
7 Ki = 1.585 nM
8 Ki = 1.9 nM
9 Ki = 2.3 nM
10 Ki = 3.3 nM
11 Ki = 3.8 nM
12 Ki = 5 nM
13 Ki = 7 nM
14 Ki = 7.3 nM
15 Ki = 7.94 nM
16 Ki = 10 nM
17 Ki = 10.47 nM
18 Ki = 11 nM
19 Ki = 12.7 nM
Protein ID: PT02591, Major prion protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000235 ScN2a Mus musculus (Mouse)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1600 nM
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)  4
1
IC50 = 28.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 230 nM
   TI
   LI
   LO
   TS
3
IC50 = 1160 nM
   TI
   LI
   LO
   TS
4
Ki = 120 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 28.18 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 30.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 32 nM
   TI
   LI
   LO
   TS
3
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 26.8 nM
3 IC50 = 26.92 nM
4 IC50 = 30.2 nM
5 IC50 = 1400 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 = 23280.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  5
1
IC50 = 21 nM
   TI
   LI
   LO
   TS
2
Ki = 1.6 nM
   TI
   LI
   LO
   TS
3
Ki = 7.762 nM
   TI
   LI
   LO
   TS
4
Ki = 8.8 nM
   TI
   LI
   LO
   TS
5
Ki = 11.9 nM
   TI
   LI
   LO
   TS
CL000196 MDA-MB-468 Homo sapiens (Human)  1
1
Ki = 0.21 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
Ki = 2 nM
   TI
   LI
   LO
   TS
2
Ki = 2.1 nM
   TI
   LI
   LO
   TS
3
Ki = 5.9 nM
   TI
   LI
   LO
   TS
4
Ki = 7 nM
   TI
   LI
   LO
   TS
CL000186 RPMI-8226 Homo sapiens (Human)  1
1
Ki = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5.64 nM
2 IC50 = 213.8 nM
3 Ki = 0.2 nM
4 Ki = 0.44 nM
5 Ki = 1.1 nM
6 Ki = 1.9 nM
7 Ki = 2.2 nM
8 Ki = 2.5 nM
9 Ki = 3.7 nM
10 Ki = 5 nM
11 Ki = 6.3 nM
12 Ki = 6.4 nM
13 Ki = 16 nM
Protein ID: PT05156, Vesicular acetylcholine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 391 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000683 DAN-G Homo sapiens (Human)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Haloperidol )
Drug Name Haloperidol
Company Janssen Pharmaceutica
Indication
Schizophrenia
Approved
Target(s)
Dopamine D2 receptor (D2R)
Antagonist
Drug 2 ( Haloperidol )
Drug Name Haloperidol
Indication
Schizophrenia
Approved
Coronavirus Disease 2019 (COVID-19)
Investigative
Target(s)
HUMAN opioid receptor sigma 1 (OPRS1)
Modulator
HUMAN sigma intracellular receptor 2 (TMEM97)
Modulator