Details of the Drug

General Information of Drug (ID: DMIHBFO)

Drug Name

1-[(Z)-4-trityloxy-2-butenyl]uracil

Synonyms

CHEMBL377199; 1-[(Z)-4-trityloxy-2-butenyl]uracil; SCHEMBL12268304

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)

424.5

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C27H24N2O3
IUPAC Name: 1-[(Z)-4-trityloxybut-2-enyl]pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC/C=C\\CN4C=CC(=O)NC4=O
InChI: InChI=1S/C27H24N2O3/c30-25-18-20-29(26(31)28-25)19-10-11-21-32-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20H,19,21H2,(H,28,30,31)/b11-10-
InChIKey: ISRBLVQOVMVNRK-KHPPLWFESA-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.