General Information of the Compound
Compound ID
CP0525882
Compound Name
8-Cyclobutylmethoxy-quinolin-2-ylamine
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Synonyms
8-Cyclobutylmethoxy-quinolin-2-ylamine
CHEMBL184980
SCHEMBL5883878
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Structure
Formula
C14H16N2O
Molecular Weight
228.295
Canonical SMILES
Nc1ccc2cccc(OCC3CCC3)c2n1
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InChI
InChI=1S/C14H16N2O/c15-13-8-7-11-5-2-6-12(14(11)16-13)17-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2,(H2,15,16)
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InChIKey
LOSCSSHHWRUJGD-UHFFFAOYSA-N
Physicochemical Property
logP
2.9959
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 22254575
ChEMBL ID
CHEMBL184980
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 = 432 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Cyclobutylmethoxy-quinolin-2-ylamine )
Drug Name 8-Cyclobutylmethoxy-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor