Details of the Drug

General Information of Drug (ID: DMSGX7V)

Drug Name

3-((2-Pyrrolidine-1-yl)-ethyl)uracil

Synonyms

CHEMBL1275720; 3-((2-pyrrolidin-1-yl)ethyl)uracil; 1254329-95-7; 3-((2-Pyrrolidine-1-yl)-ethyl)uracil

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)

209.24

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H15N3O2
IUPAC Name: 3-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1CCN(C1)CCN2C(=O)C=CNC2=O
InChI: InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)
InChIKey: XKWFMZHWDROEIH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Purine nucleoside phosphorylase (PNP)	TTMCF1Y	PNPH_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
Purine nucleoside phosphorylase (PNP)	DTT	PNP	3.67E-04	1.95	2.55

Molecular Expression Atlas (MEA)

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References

1	Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase. Eur J Med Chem. 2010 Nov;45(11):5140-9.