General Information of the Compound
Compound ID
CP0255162
Compound Name
2-ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine
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Synonyms
2-ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine
CHEMBL259338
SCHEMBL3684676
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Structure
Formula
C12H10N2OS
Molecular Weight
230.292
Canonical SMILES
CCc1nc(-c2ccoc2)c2sccc2n1
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InChI
InChI=1S/C12H10N2OS/c1-2-10-13-9-4-6-16-12(9)11(14-10)8-3-5-15-7-8/h3-7H,2H2,1H3
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InChIKey
XVRNMWQROQLUBA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5137
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
38.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 44449709
ChEMBL ID
CHEMBL259338
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: PT00862, Adenosine receptor A2a
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 681 nM
Clinical Information about the Compound
Drug 1 ( 2-ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine )
Drug Name 2-ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine
Target(s)
Adenosine A1 receptor (ADORA1)
 Target Info 
Inhibitor
Adenosine A2a receptor (ADORA2A)
 Target Info 
Inhibitor