General Information of the Compound
Compound ID
CP0463319
Compound Name
1-Ethyl-8-methoxy-3-methyl-4-methylamino-imidazo[1,5-a]-pyrido[3,2-e]pyrazine
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Structure
Formula
C14H17N5O
Molecular Weight
271.324
Canonical SMILES
CCc1nc(C)c2c(NC)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C14H17N5O/c1-5-10-16-8(2)12-13(15-3)17-9-6-7-11(20-4)18-14(9)19(10)12/h6-7H,5H2,1-4H3,(H,15,17)
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InChIKey
DGOLKFWRKBPLSU-UHFFFAOYSA-N
Physicochemical Property
logP
2.19862
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
64.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 42624218
SID: 81056407
ChEMBL ID
CHEMBL1086262
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 482 nM
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