General Information of the Compound
Compound ID
CP0506630
Compound Name
3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole
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Synonyms
3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole
3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole
BDBM50095055
CHEMBL91667
L018753
SCHEMBL7959758
UBCVYEFSXHCFPK-UHFFFAOYSA-N
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Structure
Formula
C20H22N2
Molecular Weight
290.41
Canonical SMILES
CN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
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InChI
InChI=1S/C20H22N2/c1-22-13-11-15(12-14-22)19-17-9-5-6-10-18(17)21-20(19)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
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InChIKey
UBCVYEFSXHCFPK-UHFFFAOYSA-N
Physicochemical Property
logP
4.6441
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 9838958
SID: 14800064
ChEMBL ID
CHEMBL91667
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 = 7.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole )
Drug Name 3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor