General Information of the Compound
Compound ID
CP0502021
Compound Name
5-methoxy-2-(2-pyrrolidin-1-ylethyl)-1H-indole
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Synonyms
5-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
CHEMBL403264
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Structure
Formula
C15H20N2O
Molecular Weight
244.338
Canonical SMILES
COc1ccc2[nH]c(CCN3CCCC3)cc2c1
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InChI
InChI=1S/C15H20N2O/c1-18-14-4-5-15-12(11-14)10-13(16-15)6-9-17-7-2-3-8-17/h4-5,10-11,16H,2-3,6-9H2,1H3
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InChIKey
UXDACHZONACAIV-UHFFFAOYSA-N
Physicochemical Property
logP
2.8148
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44456023
ChEMBL ID
CHEMBL403264
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 = 230 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole )
Drug Name 5-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor