Details of the Drug

General Information of Drug (ID: DM0PA6I)

Drug Name

2-(cinnamyloxy)pyrido[2,3-d]pyrimidin-4(3H)-one

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)

279.29

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H13N3O2
IUPAC Name: 2-[(E)-3-phenylprop-2-enoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
Canonical SMILES: C1=CC=C(C=C1)/C=C/COC2=NC3=C(C=CC=N3)C(=O)N2
InChI: InChI=1S/C16H13N3O2/c20-15-13-9-4-10-17-14(13)18-16(19-15)21-11-5-8-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18,19,20)/b8-5+
InChIKey: FROKBSNKSJMXTH-VMPITWQZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: optimization of in vitro activity. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5426-30.