Details of the Drug

General Information of Drug (ID: DMI2PXO)

Drug Name

5-Biphenyl-4-yl-5-hexyl-pyrimidine-2,4,6-trione

Synonyms

CHEMBL175282; 5-Biphenyl-4-yl-5-hexyl-pyrimidine-2,4,6-trione; BDBM50099116

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): 1

Molecular Weight (mw)

364.4

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H24N2O3
IUPAC Name: 5-hexyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCCCCCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H24N2O3/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)
InChIKey: KYTLMUVGULFASG-UHFFFAOYSA-N

Cross-matching ID

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)

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.