Details of the Drug

General Information of Drug (ID: DMFPCSJ)

Drug Name
6-amino-5-chlorouracil hydrochloride
Synonyms CHEMBL541900
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 198
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C4H5Cl2N3O2
IUPAC Name
6-amino-5-chloro-1H-pyrimidine-2,4-dione;hydrochloride
Canonical SMILES
C1(=C(NC(=O)NC1=O)N)Cl.Cl
InChI
InChI=1S/C4H4ClN3O2.ClH/c5-1-2(6)7-4(10)8-3(1)9;/h(H4,6,7,8,9,10);1H
InChIKey
LZWPDUHEHWOBPF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45265835
TTD ID
D0VW6H

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.