Details of the Drug

General Information of Drug (ID: DMAXESK)

Drug Name

2-amino-6-phenyl-4-p-tolylnicotinonitrile

Synonyms

CHEMBL376920; 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile; AC1LEZMJ; BAS 00789881; 2-amino-6-phenyl-4-p-tolylnicotinonitrile; MolPort-000-994-656; ZINC19818501; STK696423; BDBM50194811; AKOS000286711; MCULE-7406561707; ST4039142; 2-Amino-6-phenyl-4-p-tolyl-nicotinonitrile; SR-01000520248; SR-01000520248-1; 2-amino-3-cyano-4-(4-methylphenyl)-6-phenylpyridine; 2-amino-4-(4-methylphenyl)-6-phenyl-3-pyridyl cyanide; A1811/0076551

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)

285.3

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H15N3
IUPAC Name: 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3
InChI: InChI=1S/C19H15N3/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22)
InChIKey: ADSZRHDJWBZORK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 695136
TTD ID: D06NQD

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 non-furan containing A2A antagonists using database mining and molecular similarity approaches. Bioorg Med Chem Lett. 2006 Dec 1;16(23):5993-7.