Details of the Drug

General Information of Drug (ID: DMIFMDC)

Drug Name
Deoxyuridine-5'-Diphosphate
Synonyms
dUDP; DEOXYURIDINE-5'-DIPHOSPHATE; 2'-Deoxyuridine 5'-diphosphate; 4208-67-7; deoxyuridine-diphosphate; Deoxyuridine diphosphate; Uridine 5'-(trihydrogen diphosphate), 2'-deoxy-; CHEMBL9519; CHEBI:28850; 2'-deoxyuridine-5'-diphosphate; 2'-deoxyuridine 5'-(trihydrogen diphosphate); DUD; 1dud; Deoxyuridine 5'-diphosphate; AC1L3RS9; SCHEMBL156694; Uridine, 2'-deoxy-, 5'-(trihydrogen pyrophosphate); DTXSID90194922; 2''-Deoxyuridine-5''-diphosphate; ZINC8217150; DEOXYURIDINE-5''-DIPHOSPHATE; BDBM50179185; DB03413
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): 2 Molecular Weight (mw) 388.16
Logarithm of the Partition Coefficient (xlogp) -4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C9H14N2O11P2
IUPAC Name
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Canonical SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey
QHWZTVCCBMIIKE-SHYZEUOFSA-N
Cross-matching ID
PubChem CID
145729
ChEBI ID
CHEBI:28850
CAS Number
4208-67-7
UNII
B2SK7999YL
DrugBank ID
DB03413
TTD ID
D0RV7M

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

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.