General Information of the Compound
Compound ID
CP0520097
Compound Name
1-(3-methylbutyl)imidazo[1,5-a]quinoxalin-4-amine
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Structure
Formula
C15H18N4
Molecular Weight
254.337
Canonical SMILES
CC(C)CCc1ncc2c(N)nc3ccccc3n12
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InChI
InChI=1S/C15H18N4/c1-10(2)7-8-14-17-9-13-15(16)18-11-5-3-4-6-12(11)19(13)14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)
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InChIKey
GSQQNLUPJKCLGU-UHFFFAOYSA-N
Physicochemical Property
logP
3.0533
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
56.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 145998105
ChEMBL ID
CHEMBL4476592
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
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
IC50 = 17700 nM
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