Details of the Drug

General Information of Drug (ID: DMWFR16)

Drug Name

2-ethyl-4-(pyridin-2-yl)thieno[3,2-d]pyrimidine

Synonyms

CHEMBL259337; SCHEMBL3684919

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

241.31

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H11N3S
IUPAC Name: 2-ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
Canonical SMILES: CCC1=NC2=C(C(=N1)C3=CC=CC=N3)SC=C2
InChI: InChI=1S/C13H11N3S/c1-2-11-15-10-6-8-17-13(10)12(16-11)9-5-3-4-7-14-9/h3-8H,2H2,1H3
InChIKey: RJLBQJZGTPMDPY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antagonists of the human adenosine A2A receptor. Part 2: Design and synthesis of 4-arylthieno[3,2-d]pyrimidine derivatives. Bioorg Med Chem Lett. 2008 May 1;18(9):2920-3.