General Information of the Compound
Compound ID
CP0149514
Compound Name
5-bromo-2-(2-fluoropyridin-4-yl)-1,7-naphthyridin-8-amine
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Structure
Formula
C13H8BrFN4
Molecular Weight
319.137
Canonical SMILES
Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1
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InChI
InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
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InChIKey
KARJFNUGCLEZKM-UHFFFAOYSA-N
Physicochemical Property
logP
3.1756
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 146027031
ChEMBL ID
CHEMBL4471729
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: PT01149, Misshapen-like kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 12.59 nM
   TI
   LI
   LO
   TS
2
IC50 = 50.12 nM
   TI
   LI
   LO
   TS
Protein ID: PT01532, Mitogen-activated protein kinase kinase kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS
2
IC50 = 31.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT02000, TRAF2 and NCK-interacting protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 7.943 nM
   TI
   LI
   LO
   TS
2
IC50 = 12.59 nM
   TI
   LI
   LO
   TS