General Information of the Compound
Compound ID
CP0072398
Compound Name
N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine
    Show/Hide
Structure
Formula
C16H15N7
Molecular Weight
305.345
Canonical SMILES
Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4nccnc34)cc12
    Show/Hide
InChI
InChI=1S/C16H15N7/c1-23-12-8-10(4-5-11(12)13(22-23)9-2-3-9)19-16-14-15(20-21-16)18-7-6-17-14/h4-9H,2-3H2,1H3,(H2,18,19,20,21)
    Show/Hide
InChIKey
ZARNJMQSBTYULB-UHFFFAOYSA-N
Physicochemical Property
logP
2.8606
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
84.31
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134191937
ChEMBL ID
CHEMBL4247943
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 19.8 nM
   TI
   LI
   LO
   TS