General Information of the Compound
Compound ID
CP0518774
Compound Name
8-Methoxy-3-methyl-1-propyl-4-ureido-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C15H18N6O2
Molecular Weight
314.349
Canonical SMILES
CCCc1nc(C)c2c(NC(N)=O)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C15H18N6O2/c1-4-5-10-17-8(2)12-13(20-15(16)22)18-9-6-7-11(23-3)19-14(9)21(10)12/h6-7H,4-5H2,1-3H3,(H3,16,18,20,22)
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InChIKey
GHZGUESTFIHLEW-UHFFFAOYSA-N
Physicochemical Property
logP
2.03762
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
107.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 24803383
SID: 49749518
ChEMBL ID
CHEMBL1086329
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 = 55.4 nM
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