General Information of the Compound
Compound ID
CP0922172
Compound Name
3-[6-(Benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
    Show/Hide
Structure
Formula
C20H15N5
Molecular Weight
325.375
Canonical SMILES
N#Cc1cccc(-c2cnc3ccc(NCc4ccccc4)nn23)c1
    Show/Hide
InChI
InChI=1S/C20H15N5/c21-12-16-7-4-8-17(11-16)18-14-23-20-10-9-19(24-25(18)20)22-13-15-5-2-1-3-6-15/h1-11,14H,13H2,(H,22,24)
    Show/Hide
InChIKey
ZNMQXOQGTZNCCL-UHFFFAOYSA-N
Physicochemical Property
logP
3.88008
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
66.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 122179541
ChEMBL ID
CHEMBL3582428
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: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 740 nM
   TI
   LI
   LO
   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS