Details of the Drug

General Information of Drug (ID: DMY7035)

Drug Name

4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Synonyms

CHEMBL406499; 4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine; 442847-46-3; SCHEMBL4369855; 4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine; SCHEMBL13668449; YOPVCNSOKMOXST-UHFFFAOYSA-N; BDBM50239028; J3.571.237B; L021771; 4-(2-Furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine

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)

200.2

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H8N4O
IUPAC Name: 4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Canonical SMILES: C1=COC(=C1)C2=C3C=CNC3=NC(=N2)N
InChI: InChI=1S/C10H8N4O/c11-10-13-8(7-2-1-5-15-7)6-3-4-12-9(6)14-10/h1-5H,(H3,11,12,13,14)
InChIKey: YOPVCNSOKMOXST-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 21976428
TTD ID: D0W5CZ

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. J Med Chem. 2009 Jan 8;52(1):33-47.