General Information of the Compound
Compound ID
CP0485904
Compound Name
8-Methoxy-quinolin-2-ylamine
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Synonyms
104090-86-0
2-AMINO-8-METHOXYQUINOLINE
2-Quinolinamine, 8-methoxy-
8-Methoxy-quinolin-2-ylamine
8-Methoxyquinolin-2-amine
ACMC-20m6vk
AKOS013465271
BDBM50025466
CHEMBL77072
CTK0G6598
DTXSID90624077
MolPort-020-915-686
PMXFKGCLUAFLMH-UHFFFAOYSA-N
SCHEMBL1655715
ZINC26399714
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Structure
Formula
C10H10N2O
Molecular Weight
174.203
Canonical SMILES
COc1cccc2ccc(N)nc12
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InChI
InChI=1S/C10H10N2O/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3,(H2,11,12)
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InChIKey
PMXFKGCLUAFLMH-UHFFFAOYSA-N
Physicochemical Property
logP
1.8256
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 22266820
ChEMBL ID
CHEMBL77072
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 = 1590 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Methoxy-quinolin-2-ylamine )
Drug Name 8-Methoxy-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor