General Information of the Compound
Compound ID
CP0538007
Compound Name
6,8-dimethoxy-3-methyl-1-(2-methylpyridin-4-yl)pyrazolo[3,4-c]cinnoline
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Structure
Formula
C18H17N5O2
Molecular Weight
335.367
Canonical SMILES
COc1cc(OC)c2nnc3n(C)nc(-c4ccnc(C)c4)c3c2c1
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InChI
InChI=1S/C18H17N5O2/c1-10-7-11(5-6-19-10)16-15-13-8-12(24-3)9-14(25-4)17(13)20-21-18(15)23(2)22-16/h5-9H,1-4H3
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InChIKey
PJTWMFJUPLYADV-UHFFFAOYSA-N
Physicochemical Property
logP
2.90412
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
74.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 155529178
ChEMBL ID
CHEMBL4462303
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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6130 nM
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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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 105 nM
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