Details of the Drug

General Information of Drug (ID: DM3JURW)

Drug Name

2,6-Diphenyl-pyrimidin-4-ylamine

Synonyms

4-Amino-2,6-diphenylpyrimidine; 2,6-diphenylpyrimidin-4-amine; CHEMBL406788; PLXFRDQUOPPVHF-UHFFFAOYSA-N; 2,6-Diphenyl-4-pyrimidinamine; AC1LDIB7; SCHEMBL1490059; 2,6-Diphenyl-4-pyrimidinamine #; ZINC29062470; BDBM50375487; AKOS011055092; (2,6-diphenyl-pyrimidin-4-yl)-amine

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)

247.29

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13N3
IUPAC Name: 2,6-diphenylpyrimidin-4-amine
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N
InChI: InChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKey: PLXFRDQUOPPVHF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 619020
TTD ID: D08INY

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