Details of the Drug

General Information of Drug (ID: DMP4NHD)

Drug Name

2-Amino-4-furan-2-yl-6-phenyl-nicotinonitrile

Synonyms

CHEMBL447192; 2-Amino-4-furan-2-yl-6-phenyl-nicotinonitrile; 2-amino-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile; BAS 02565128; AC1LEWZ0; Oprea1_555020; SCHEMBL6250225; MolPort-001-022-735; HMS1617K16; STL308426; ZINC19608452; BDBM50262388; AKOS000670186; MCULE-4659467081; ST50302441; 2-amino-4-(2-furyl)-6-phenylnicotinonitrile; 2-amino-4-(2-furyl)-6-phenylpyridine-3-carbonitrile

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)

261.279

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H11N3O
IUPAC Name: 2-amino-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile
Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)N
InChI: InChI=1S/C16H11N3O/c17-10-13-12(15-7-4-8-20-15)9-14(19-16(13)18)11-5-2-1-3-6-11/h1-9H,(H2,18,19)
InChIKey: UPNSGUUFOFSFEZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 743242
TTD ID: D0P7FK

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.