General Information of the Compound
Compound ID
CP0378075
Compound Name
8-Cyclohexylmethoxy-quinolin-2-ylamine
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Synonyms
2-Quinolinamine, 8-(cyclohexylmethoxy)-
635755-66-7
8-(cyclohexylmethoxy)quinolin-2-amine
8-Cyclohexylmethoxy-quinolin-2-ylamine
A-224940
BDBM50152424
CHEMBL364377
CTK2A8845
DTXSID90623944
SCHEMBL5884420
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Structure
Formula
C16H20N2O
Molecular Weight
256.349
Canonical SMILES
Nc1ccc2cccc(OCC3CCCCC3)c2n1
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InChI
InChI=1S/C16H20N2O/c17-15-10-9-13-7-4-8-14(16(13)18-15)19-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H2,17,18)
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InChIKey
OTJOSBTUERTNPP-UHFFFAOYSA-N
Physicochemical Property
logP
3.7761
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 22254551
ChEMBL ID
CHEMBL364377
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000863 I3.4.2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 90 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000016 IMR-32
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1680 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( A-224940 )
Drug Name A-224940
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
 Target Info 
Inhibitor