General Information of the Compound
Compound ID
CP0039741
Compound Name
(+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole
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Synonyms
(-)-5-(3-benzylpyrrolidin-3-yl)-1H-indole
5-(3-BENZYLPYRROLIDIN-3-YL)-1H-INDOLE (STRUCTURAL MIX)
5-(3-benzyl-pyrrolidin-3-yl)-1H-indole
5-(3-benzylpyrrolidin-3-yl)-1H-indole
5-(3-benzylpyrrolidin-3-yl)-1h-indole (structural mix)
BDBM50275438
CHEMBL487355
SCHEMBL982204
UZKWACFLBGIUSH-UHFFFAOYSA-N
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Structure
Formula
C19H20N2
Molecular Weight
276.383
Canonical SMILES
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1
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InChI
InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2
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InChIKey
UZKWACFLBGIUSH-UHFFFAOYSA-N
Physicochemical Property
logP
3.6417
Rotatable Bonds
3
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: 44230732
SID: 85249988
ChEMBL ID
CHEMBL487355
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: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-(3-benzylpyrrolidin-3-yl)-1h-indole (structural mix) )
Drug Name 5-(3-benzylpyrrolidin-3-yl)-1h-indole (structural mix)
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
 Target Info 
Inhibitor