Details of the Drug

General Information of Drug (ID: DM05OMF)

Drug Name

5-(4-Phenoxy-phenyl)-pyrimidine-2,4,6-trione

Synonyms

CHEMBL176517; 219311-20-3; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-phenoxyphenyl)-; SCHEMBL6380971; CTK0J6997; DTXSID60470422; NNRYJLARUIVRRO-UHFFFAOYSA-N; 5-(4'-phenoxyphenyl)barbituric acid; 5-(4-phenoxyphenyl)pyrimidine-2,4,6-trione

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)

296.28

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H12N2O4
IUPAC Name: 6-hydroxy-5-(4-phenoxyphenyl)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(NC(=O)NC3=O)O
InChI: InChI=1S/C16H12N2O4/c19-14-13(15(20)18-16(21)17-14)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9H,(H3,17,18,19,20,21)
InChIKey: CVMFBMDAPZFQBR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 53742316
TTD ID: D07LTB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel 5,5-disubstitutedpyrimidine-2,4,6-triones as selective MMP inhibitors. Bioorg Med Chem Lett. 2001 Apr 23;11(8):969-72.