Details of the Drug

General Information of Drug (ID: DMXGWOT)

Drug Name

2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine

Synonyms

CHEMBL399529; 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine; 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-ylamine; 856171-18-1; SCHEMBL1489577; SSPIGFDAVQVRCH-UHFFFAOYSA-N; BDBM50232155

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)

227.22

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H9N5O
IUPAC Name: 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine
Canonical SMILES: C1=CN(N=C1)C2=NC(=NC(=C2)N)C3=CC=CO3
InChI: InChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
InChIKey: SSPIGFDAVQVRCH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11424684
TTD ID: D08CIY

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	Identification of novel, water-soluble, 2-amino-N-pyrimidin-4-yl acetamides as A2A receptor antagonists with in vivo efficacy. J Med Chem. 2008 Feb 14;51(3):400-6.