Details of the Drug

General Information of Drug (ID: DMC5OQ3)

Drug Name

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

Synonyms

CHEMBL253753; Thieno[3,2-d]pyrimidine, 2-chloro-4-(2-thienyl)-; SCHEMBL3682427; BDBM50377508

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)

252.7

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H5ClN2S2
IUPAC Name: 2-chloro-4-thiophen-2-ylthieno[3,2-d]pyrimidine
Canonical SMILES: C1=CSC(=C1)C2=NC(=NC3=C2SC=C3)Cl
InChI: InChI=1S/C10H5ClN2S2/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H
InChIKey: GFDPXLUZWJSHBL-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.