General Information of the Compound
Compound ID
CP0144432
Compound Name
N-[3-(1H-indol-4-yloxy)propyl]cyclopentanamine
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Synonyms
CHEMBL392392
N-(3-(1H-indol-4-yloxy)propyl)cyclopentanamine
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Structure
Formula
C16H22N2O
Molecular Weight
258.365
Canonical SMILES
C(CNC1CCCC1)COc1cccc2[nH]ccc12
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InChI
InChI=1S/C16H22N2O/c1-2-6-13(5-1)17-10-4-12-19-16-8-3-7-15-14(16)9-11-18-15/h3,7-9,11,13,17-18H,1-2,4-6,10,12H2
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InChIKey
IYOLOIDWTZSJFT-UHFFFAOYSA-N
Physicochemical Property
logP
3.469
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
37.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44433248
ChEMBL ID
CHEMBL392392
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 233 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 94.3 nM
Clinical Information about the Compound
Drug 1 ( N-(3-(1H-indol-4-yloxy)propyl)cyclopentanamine )
Drug Name N-(3-(1H-indol-4-yloxy)propyl)cyclopentanamine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor