General Information of the Compound
Compound ID
CP0069240
Compound Name
4-(piperazin-1-yl)-1H-indole
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Synonyms
1-(4-indolyl)-piperazine
1-(4-indolyl)piperazine
1-(indol-4-yl)piperazine
1-(indol-4yl)-piperazine
1-(indol-4yl)piperazine
1H-Indole, 4-(1-piperazinyl)-
1H-Indole-4-(1-piperazinyl)dihydrochloride
1H-indol-4-ylpiperazine
4-(1-Piperazinyl)-1H-indole
4-(1-piperazinyl)indole
4-(Piperazino)indole
4-(piperazin-1-yl)-1H-indole
4-Piperazino-1H-indole
4-piperazin-1-yl-1H-indole
4-piperazino-indole
4-piperazinoindole
84807-09-0
AC1LC5AN
AK-26360
CHEMBL200234
PubChem22668
W-206959
YZKSXUIOKWQABW-UHFFFAOYSA-N
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Structure
Formula
C12H15N3
Molecular Weight
201.273
Canonical SMILES
C1CN(CCN1)c1cccc2[nH]ccc12
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InChI
InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
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InChIKey
YZKSXUIOKWQABW-UHFFFAOYSA-N
CAS
84807-09-0
Physicochemical Property
logP
1.5775
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
31.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 594590
ChEMBL ID
CHEMBL200234
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: 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 = 2700 nM
   TI
   LI
   LO
   TS
Protein ID: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 67.61 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 68 nM
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
Ki > 19952.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 19952.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 19952.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 19952.62 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(piperazin-1-yl)-1H-indole )
Drug Name 4-(piperazin-1-yl)-1H-indole
Target(s)
5-HT 6 receptor (HTR6)
Inhibitor