Details of the Drug

General Information of Drug (ID: DMK3J8Q)

Drug Name

4-(thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine

Synonyms

CHEMBL259111; 4-(2-thiazolyl)thieno[3,2-d]pyrimidine-2-amine; 443148-62-7; SCHEMBL3684455

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)

234.3

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C9H6N4S2
IUPAC Name: 4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
Canonical SMILES: C1=CSC2=C1N=C(N=C2C3=NC=CS3)N
InChI: InChI=1S/C9H6N4S2/c10-9-12-5-1-3-14-7(5)6(13-9)8-11-2-4-15-8/h1-4H,(H2,10,12,13)
InChIKey: CLNBBLGSLDNSMF-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.