General Information of the Compound
Compound ID
CP0373969
Compound Name
N-[6-(furan-2-yl)-5-pyridin-4-ylpyridin-2-yl]acetamide
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Synonyms
BDBM50312964
CHEMBL1081811
N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)acetamide
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Structure
Formula
C16H13N3O2
Molecular Weight
279.299
Canonical SMILES
CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
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InChI
InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
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InChIKey
STFZQXRQDWXSGW-UHFFFAOYSA-N
Physicochemical Property
logP
3.362
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 46880333
ChEMBL ID
CHEMBL1081811
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 358 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 209 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 333 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)acetamide )
Drug Name N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)acetamide
Target(s)
Adenosine A1 receptor (ADORA1)
Inhibitor
Adenosine A2b receptor (ADORA2B)
Inhibitor
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A3 receptor (ADORA3)
Inhibitor