General Information of the Compound
Compound ID
CP0046618
Compound Name
1-(3-chlorophenyl)piperazine
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Synonyms
1-(m-chlorophenyl)piperazine
m-chlorophenylpiperazine
meta chlorophenyl piperazine
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Structure
Formula
C10H13ClN2
Molecular Weight
196.681
Canonical SMILES
Clc1cccc(c1)N1CCNCC1
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InChI
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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InChIKey
VHFVKMTVMIZMIK-UHFFFAOYSA-N
CAS
6640-24-0
Physicochemical Property
logP
1.7496
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 1355
SID: 15487730
ChEMBL ID
CHEMBL478
DrugBank ID
DB12110
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 7.2 nM
   TI
   LI
   LO
   TS
2
EC50 = 63.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 251.19 nM
   TI
   LI
   LO
   TS
4
EC50 = 290 nM
   TI
   LI
   LO
   TS
5
Ki = 25.12 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 75 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 167 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 290 nM
   TI
   LI
   LO
   TS
2
Ki = 48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 32 nM
2 Ki = 54 nM
3 Ki = 273 nM
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS
2
EC50 = 287 nM
   TI
   LI
   LO
   TS
3
Ki = 10 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 125 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 287 nM
   TI
   LI
   LO
   TS
2
Ki = 24 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 32 nM
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 7.943 nM
   TI
   LI
   LO
   TS
2
EC50 = 8.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 12.59 nM
   TI
   LI
   LO
   TS
4
EC50 = 15 nM
   TI
   LI
   LO
   TS
5
Ki = 7.943 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 15 nM
   TI
   LI
   LO
   TS
2
Ki = 17 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 26 nM
   TI
   LI
   LO
   TS
2
EC50 = 170 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 9 nM
2 Ki = 27.7 nM
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 352 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( m-chlorophenylpiperazine )
Drug Name m-chlorophenylpiperazine
Target(s)
5-HT 2C receptor (HTR2C)
Agonist
5-HT 1E receptor (HTR1E)
Agonist
5-HT 1D receptor (HTR1D)
Antagonist
5-HT 6 receptor (HTR6)
Agonist
5-HT 7 receptor (HTR7)
Agonist
5-HT 2B receptor (HTR2B)
Agonist
5-HT 2A receptor (HTR2A)
Agonist