Details of the Drug

General Information of Drug (ID: DMVN0EC)

Drug Name

2-Amino-4,6-di-furan-2-yl-nicotinonitrile

Synonyms

CHEMBL506250; AC1MDUVT; 2-Amino-4,6-di-furan-2-yl-nicotinonitrile; SCHEMBL6252357; MolPort-002-903-619; ZINC20432232; BDBM50262441; MCULE-1490383880; SR-01000003798; SR-01000003798-1

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)

251.24

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H9N3O2
IUPAC Name: 2-amino-4,6-bis(furan-2-yl)pyridine-3-carbonitrile
Canonical SMILES: C1=COC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CO3
InChI: InChI=1S/C14H9N3O2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
InChIKey: BDULELAUBSFJFH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2817165
TTD ID: D0F4XB

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]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists. J Med Chem. 2008 Aug 14;51(15):4449-55.