General Information of the Compound
Compound ID
CP0507068
Compound Name
8-phenyl-1-quinolin-6-ylimidazo[4,5-c][1,7]naphthyridine
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Structure
Formula
C24H15N5
Molecular Weight
373.419
Canonical SMILES
c1nc2cnc3cnc(cc3c2n1-c1ccc2ncccc2c1)-c1ccccc1
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InChI
InChI=1S/C24H15N5/c1-2-5-16(6-3-1)21-12-19-22(13-26-21)27-14-23-24(19)29(15-28-23)18-8-9-20-17(11-18)7-4-10-25-20/h1-15H
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InChIKey
KUUOKLYDLXUISS-UHFFFAOYSA-N
Physicochemical Property
logP
5.1839
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
56.49
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 134132676
ChEMBL ID
CHEMBL3908516
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 = 96 nM
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