Details of the Drug

General Information of Drug (ID: DMRY0OL)

Drug Name

5-bromo-6-(cyclopropylamino)uracil hydrochloride

Synonyms

CHEMBL537864

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

282.52

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C7H9BrClN3O2
IUPAC Name: 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione;hydrochloride
Canonical SMILES: C1CC1NC2=C(C(=O)NC(=O)N2)Br.Cl
InChI: InChI=1S/C7H8BrN3O2.ClH/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12;/h3H,1-2H2,(H3,9,10,11,12,13);1H
InChIKey: CUQFSKAHEOAMRH-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.