General Information of the Compound
Compound ID
CP0525621
Compound Name
1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine
    Show/Hide
Structure
Formula
C23H16N6
Molecular Weight
376.423
Canonical SMILES
Cc1ccc(cc1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
    Show/Hide
InChI
InChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
    Show/Hide
InChIKey
BBZPNSXBLMAPPM-UHFFFAOYSA-N
Physicochemical Property
logP
4.82042
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 134156318
ChEMBL ID
CHEMBL3987154
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: PT01476, Mitogen-activated protein kinase kinase kinase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS