General Information of the Compound
Compound ID
CP0420124
Compound Name
8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine
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Synonyms
8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine
CHEMBL365459
SCHEMBL5884532
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Structure
Formula
C16H22N2O
Molecular Weight
258.365
Canonical SMILES
CCC(CC)C(C)Oc1cccc2ccc(N)nc12
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InChI
InChI=1S/C16H22N2O/c1-4-12(5-2)11(3)19-14-8-6-7-13-9-10-15(17)18-16(13)14/h6-12H,4-5H2,1-3H3,(H2,17,18)
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InChIKey
UMDWRYRCTHHCNV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0205
Rotatable Bonds
5
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: 10377822
SID: 15392374
ChEMBL ID
CHEMBL365459
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 = 191 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine )
Drug Name 8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor