Details of the Drug

General Information of Drug (ID: DM4S86L)

Drug Name

5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione

Synonyms

5-Hexyl-5-phenylbarbituric acid; BRN 0297956; BARBITURIC ACID, 5-HEXYL-5-PHENYL-; 67051-21-2; CHEMBL173075; AC1L2LKK; 5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione; 4-24-00-02103 (Beilstein Handbook Reference); CTK8J9653; DTXSID20217355; 5-hexyl-5-phenyl barbituric acid; BDBM50099125; LS-24512

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)

288.34

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H20N2O3
IUPAC Name: 5-hexyl-5-phenyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCCCCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI: InChI=1S/C16H20N2O3/c1-2-3-4-8-11-16(12-9-6-5-7-10-12)13(19)17-15(21)18-14(16)20/h5-7,9-10H,2-4,8,11H2,1H3,(H2,17,18,19,20,21)
InChIKey: LWBGXTORWSRDHX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 49292
CAS Number: 67051-21-2
TTD ID: D0K4TI

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.