General Information of the Compound
Compound ID
CP0402176
Compound Name
5-(8-aminoimidazo[1,2-a]pyrazin-3-yl)pentan-1-ol
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Structure
Formula
C11H16N4O
Molecular Weight
220.276
Canonical SMILES
Nc1nccn2c(CCCCCO)cnc12
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InChI
InChI=1S/C11H16N4O/c12-10-11-14-8-9(4-2-1-3-7-16)15(11)6-5-13-10/h5-6,8,16H,1-4,7H2,(H2,12,13)
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InChIKey
QPUUXIWHMVIHNO-UHFFFAOYSA-N
Physicochemical Property
logP
1.0166
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
76.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 155567376
ChEMBL ID
CHEMBL4588791
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 = 48500 nM
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