Details of the Drug

General Information of Drug (ID: DMIRSQO)

Drug Name

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

Synonyms

CHEMBL402817; SCHEMBL3677642

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)

246.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H10N2S2
IUPAC Name: 2-ethyl-4-thiophen-2-ylthieno[3,2-d]pyrimidine
Canonical SMILES: CCC1=NC2=C(C(=N1)C3=CC=CS3)SC=C2
InChI: InChI=1S/C12H10N2S2/c1-2-10-13-8-5-7-16-12(8)11(14-10)9-4-3-6-15-9/h3-7H,2H2,1H3
InChIKey: HTDFKCHXFHIXPU-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.