General Information of the Compound
Compound ID
CP0162577
Compound Name
4-Ethoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one
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Synonyms
4-Ethoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one
AKOS030557417
BDBM50051338
CHEMBL76874
GTPL396
MRS-1066
MRS1066
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Structure
Formula
C21H16O4
Molecular Weight
332.355
Canonical SMILES
CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
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InChI
InChI=1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
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InChIKey
TZRUAYHMQMKKLT-CMDGGOBGSA-N
Physicochemical Property
logP
5.1083
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
52.58
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 10806465
SID: 15846368
ChEMBL ID
CHEMBL76874
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1160 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Ethoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one )
Drug Name 4-Ethoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one
Target(s)
Adenosine A2b receptor (ADORA2B)
Antagonist
Adenosine A1 receptor (ADORA1)
Antagonist
Adenosine A3 receptor (ADORA3)
Inhibitor