General Information of the Compound
Compound ID
CP0459643
Compound Name
N-[(3-methylimidazo[4,5-c]quinolin-2-yl)methyl]ethanamine
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Structure
Formula
C14H16N4
Molecular Weight
240.31
Canonical SMILES
CCNCc1nc2c(cnc3ccccc23)n1C
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InChI
InChI=1S/C14H16N4/c1-3-15-9-13-17-14-10-6-4-5-7-11(10)16-8-12(14)18(13)2/h4-8,15H,3,9H2,1-2H3
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InChIKey
JMXXSPJBJISKFX-UHFFFAOYSA-N
Physicochemical Property
logP
2.231
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
42.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 56666451
ChEMBL ID
CHEMBL1795694
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 30440 nM
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