Details of the Drug

General Information of Drug (ID: DMMT7WO)

Drug Name

5-chloro-6-hydrazinouracil hydrochloride

Synonyms

CHEMBL558777

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

213.02

Topological Polar Surface Area

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C4H6Cl2N4O2
IUPAC Name: 5-chloro-6-hydrazinyl-1H-pyrimidine-2,4-dione;hydrochloride
Canonical SMILES: C1(=C(NC(=O)NC1=O)NN)Cl.Cl
InChI: InChI=1S/C4H5ClN4O2.ClH/c5-1-2(9-6)7-4(11)8-3(1)10;/h6H2,(H3,7,8,9,10,11);1H
InChIKey: CEUAYFMFBGNGQD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine phosphorylase (TYMP)	TTO0IB8	TYPH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thymidine phosphorylase (TYMP)	DTT	TYMP	6.50E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

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References

1	Design and synthesis of novel 5,6-disubstituted uracil derivatives as potent inhibitors of thymidine phosphorylase. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1335-7.
2	Enzymatic activities of uridine and thymidine phosphorylase in normal and cancerous uterine cervical tissues. Hum Cell. 2007 Nov;20(4):107-10.
3	The role of phosphate in the action of thymidine phosphorylase inhibitors: Implications for the catalytic mechanism. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1648-51.
4	Discovery of 5-substituted-6-chlorouracils as efficient inhibitors of human thymidine phosphorylase. J Med Chem. 2007 Nov 29;50(24):6016-23.
5	5'-O-tritylinosine and analogues as allosteric inhibitors of human thymidine phosphorylase. J Med Chem. 2006 Sep 7;49(18):5562-70.