General Information of the Compound
Compound ID
CP0548131
Compound Name
5-cyclopropyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
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Structure
Formula
C16H16N8
Molecular Weight
320.36
Canonical SMILES
Cc1cccn2cc(Cn3nnc4c(N)nc(nc34)C3CC3)nc12
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InChI
InChI=1S/C16H16N8/c1-9-3-2-6-23-7-11(18-15(9)23)8-24-16-12(21-22-24)13(17)19-14(20-16)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H2,17,19,20)
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InChIKey
XXKAWKYKDBXLIE-UHFFFAOYSA-N
Physicochemical Property
logP
1.68532
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
99.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 70682582
ChEMBL ID
CHEMBL2070934
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: PT02834, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 53.8 nM
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