General Information of the Compound
Compound ID
CP0270573
Compound Name
2-Phenyl-3-piperidin-3-yl-1H-indole
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Synonyms
2-Phenyl-3-piperidin-3-yl-1H-indole
2-phenyl-3-(3-piperidinyl)-1H-Indole
244086-74-6
3-(3-Piperidinyl)-2-phenyl-1H-indole
3-(Piperidin-3-yl)-2-phenyl-1H-indole
AKOS022450446
BDBM50099262
CHEMBL42557
DA-07759
SCHEMBL8525019
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Structure
Formula
C19H20N2
Molecular Weight
276.383
Canonical SMILES
C1CNCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
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InChI
InChI=1S/C19H20N2/c1-2-7-14(8-3-1)19-18(15-9-6-12-20-13-15)16-10-4-5-11-17(16)21-19/h1-5,7-8,10-11,15,20-21H,6,9,12-13H2
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InChIKey
FYHCOUIJWCQUMZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3019
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
27.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 9795587
SID: 14750747
ChEMBL ID
CHEMBL42557
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.99 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 89 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1300 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)  1
1
Ki = 4900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4897.79 nM
2 Ki = 4900 nM
Clinical Information about the Compound
Drug 1 ( 2-Phenyl-3-piperidin-3-yl-1H-indole )
Drug Name 2-Phenyl-3-piperidin-3-yl-1H-indole
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor