General Information of the Compound
Compound ID
CP0462546
Compound Name
2-(2-pyrrolidin-1-ylethyl)-1H-indole
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Synonyms
2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
CHEMBL271899
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Structure
Formula
C14H18N2
Molecular Weight
214.312
Canonical SMILES
C(Cc1cc2ccccc2[nH]1)N1CCCC1
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InChI
InChI=1S/C14H18N2/c1-2-6-14-12(5-1)11-13(15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2
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InChIKey
IVJNJVNKYYOCPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8062
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 44456057
ChEMBL ID
CHEMBL271899
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 219 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole )
Drug Name 2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor