Details of the Drug

General Information of Drug (ID: DM9MPDK)

Drug Name
6-Carboxymethyluracil
Synonyms
6-Carboxymethyluracil; 4628-39-1; URACIL-6-ACETIC ACID; Uracil-4-acetic acid; (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid; 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidineacetic acid; 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid; uracil-6-ylacetic acid; NSC13201; 4-Pyrimidineacetic acid, 1,2,3,6-tetrahydro-2,6-dioxo-; (2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-acetic acid; CHEBI:46371; 2-(2,6-dihydroxypyrimidin-4-yl)acetic acid; 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid; 4-Pyrimidineaceticacid, 1,2,
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 (mw) 170.12
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H6N2O4
IUPAC Name
2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
Canonical SMILES
C1=C(NC(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)
InChIKey
NQAUNZZEYKWTHM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73271
ChEBI ID
CHEBI:46371
CAS Number
4628-39-1
UNII
EF762EX2DY
DrugBank ID
DB03048
TTD ID
D0O0AI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dihydrothymine dehydrogenase (DPYD) TTZPS91 DPYD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.