Details of the Drug

General Information of Drug (ID: DMZPJM4)

Drug Name

1-(3-tritylaminopropyl)uracil

Synonyms

CHEMBL211905; 1-(3-tritylaminopropyl)uracil; 1-[3-(tritylamino)propyl]pyrimidine-2,4-dione; SCHEMBL913253

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)

411.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C26H25N3O2
IUPAC Name: 1-[3-(tritylamino)propyl]pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCN4C=CC(=O)NC4=O
InChI: InChI=1S/C26H25N3O2/c30-24-17-20-29(25(31)28-24)19-10-18-27-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-17,20,27H,10,18-19H2,(H,28,30,31)
InChIKey: FFJOPHQHIVRWNN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxyuridine triphosphate nucleotidohydrolase (Bact dut)	TTY8KJS	DUT_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase. J Med Chem. 2006 Jul 13;49(14):4183-95.