General Information of the Compound
Compound ID
CP0473032
Compound Name
4-(N-Methyl-ureido)-8-methoxy-3-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C16H20N6O2
Molecular Weight
328.376
Canonical SMILES
CCCc1nc(C)c2c(NC(=O)NC)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C16H20N6O2/c1-5-6-11-18-9(2)13-14(21-16(23)17-3)19-10-7-8-12(24-4)20-15(10)22(11)13/h7-8H,5-6H2,1-4H3,(H2,17,19,21,23)
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InChIKey
LEUKXOCBLWSMSV-UHFFFAOYSA-N
Physicochemical Property
logP
2.29832
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
93.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 24803227
SID: 49749364
ChEMBL ID
CHEMBL1086330
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 = 535 nM
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