General Information of the Compound
Compound ID
CP0485903
Compound Name
8-Cycloheptyloxy-quinolin-2-ylamine
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Synonyms
8-Cycloheptyloxy-quinolin-2-ylamine
CHEMBL184394
SCHEMBL5884483
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Structure
Formula
C16H20N2O
Molecular Weight
256.349
Canonical SMILES
Nc1ccc2cccc(OC3CCCCCC3)c2n1
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InChI
InChI=1S/C16H20N2O/c17-15-11-10-12-6-5-9-14(16(12)18-15)19-13-7-3-1-2-4-8-13/h5-6,9-11,13H,1-4,7-8H2,(H2,17,18)
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InChIKey
MGAFXFCQBHUFIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.9186
Rotatable Bonds
2
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: 10332650
SID: 15343102
ChEMBL ID
CHEMBL184394
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 = 137 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 3480 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Cycloheptyloxy-quinolin-2-ylamine )
Drug Name 8-Cycloheptyloxy-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor