General Information of the Compound
Compound ID
CP0153737
Compound Name
2-chloro-4-thiophen-2-ylthieno[3,2-d]pyrimidine
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Synonyms
2-chloro-4-(thiophen-2-yl)thieno[3,2-d]pyrimidine
BDBM50377508
CHEMBL253753
SCHEMBL3682427
Thieno[3,2-d]pyrimidine, 2-chloro-4-(2-thienyl)-
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Structure
Formula
C10H5ClN2S2
Molecular Weight
252.751
Canonical SMILES
Clc1nc(-c2cccs2)c2sccc2n1
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InChI
InChI=1S/C10H5ClN2S2/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H
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InChIKey
GFDPXLUZWJSHBL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0732
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 44449257
ChEMBL ID
CHEMBL253753
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 391 nM
Clinical Information about the Compound
Drug 1 ( 2-chloro-4-(thiophen-2-yl)thieno[3,2-d]pyrimidine )
Drug Name 2-chloro-4-(thiophen-2-yl)thieno[3,2-d]pyrimidine
Target(s)
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A1 receptor (ADORA1)
Inhibitor