Details of the Drug

General Information of Drug (ID: DM1MOB9)

Drug Name

2-Amino-4,6-diphenyl-pyrimidin-5-carbonitrile

Synonyms

CHEMBL259736; SCHEMBL6440910; JMXZSEAMWCKILY-UHFFFAOYSA-N; ZINC29063803; BDBM50375505; 2-amino-4,6-diphenylpyrimidine-5-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)

272.3

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H12N4
IUPAC Name: 2-amino-4,6-diphenylpyrimidine-5-carbonitrile
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)C3=CC=CC=C3)C#N
InChI: InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
InChIKey: JMXZSEAMWCKILY-UHFFFAOYSA-N

Cross-matching ID

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)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A new generation of adenosine receptor antagonists: from di- to trisubstituted aminopyrimidines. Bioorg Med Chem. 2008 Mar 15;16(6):2741-52.