General Information of the Compound
Compound ID
CP0550897
Compound Name
8-(3-Methyl-cyclopentyloxy)-quinolin-2-ylamine
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Synonyms
8-(3-Methyl-cyclopentyloxy)-quinolin-2-ylamine
CHEMBL183739
SCHEMBL5883724
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Structure
Formula
C15H18N2O
Molecular Weight
242.322
Canonical SMILES
CC1CCC(C1)Oc1cccc2ccc(N)nc12
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InChI
InChI=1S/C15H18N2O/c1-10-5-7-12(9-10)18-13-4-2-3-11-6-8-14(16)17-15(11)13/h2-4,6,8,10,12H,5,7,9H2,1H3,(H2,16,17)
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InChIKey
XSBYTVRYECCAPQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3844
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 10083101
SID: 15069356
ChEMBL ID
CHEMBL183739
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000863 I3.4.2 Homo sapiens (Human)  1
1
IC50 = 823 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(3-Methyl-cyclopentyloxy)-quinolin-2-ylamine )
Drug Name 8-(3-Methyl-cyclopentyloxy)-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor