General Information of the Compound
Compound ID
CP0409953
Compound Name
2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
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Structure
Formula
C11H9N3OS
Molecular Weight
231.28
Canonical SMILES
Cc1ccc(o1)-c1nc(N)c2ccsc2n1
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InChI
InChI=1S/C11H9N3OS/c1-6-2-3-8(15-6)10-13-9(12)7-4-5-16-11(7)14-10/h2-5H,1H3,(H2,12,13,14)
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InChIKey
DGQVGYRTJCHHBD-UHFFFAOYSA-N
Physicochemical Property
logP
2.84192
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
64.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 59277997
SID: 163684148
ChEMBL ID
CHEMBL2377237
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 493 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 109 nM
   TI
   LI
   LO
   TS