General Information of the Compound
Compound ID
CP0551058
Compound Name
1-cyclopropyl-6,8-dimethoxy-3-methylpyrazolo[3,4-c]cinnoline
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Structure
Formula
C15H16N4O2
Molecular Weight
284.319
Canonical SMILES
COc1cc(OC)c2nnc3n(C)nc(C4CC4)c3c2c1
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InChI
InChI=1S/C15H16N4O2/c1-19-15-12(13(18-19)8-4-5-8)10-6-9(20-2)7-11(21-3)14(10)16-17-15/h6-8H,4-5H2,1-3H3
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InChIKey
NMEMPMNASHVNKZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4111
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
62.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 73387958
ChEMBL ID
CHEMBL4584759
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 535 nM
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