Details of the Drug

General Information of Drug (ID: DMDQKJB)

Drug Name
Uridine-5'-Diphosphate
Synonyms
Uridine 5'-diphosphate; URIDINE DIPHOSPHATE; 58-98-0; Uridine 5'-(trihydrogen diphosphate); uridine-5'-diphosphate; UDP; UNII-5G0F599A1Y; 5'-UDP; Uridine 5'-pyrophosphate; EINECS 200-409-6; Uridine 5'-pyrophosphoric acid; CHEMBL130266; CHEBI:17659; 5G0F599A1Y; uridine-diphosphate; ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate; [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate; Uridine Pyrophosp
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): 3 Molecular Weight (mw) 404.16
Logarithm of the Partition Coefficient (xlogp) -4.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C9H14N2O12P2
IUPAC Name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Canonical SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
XCCTYIAWTASOJW-XVFCMESISA-N
Cross-matching ID
PubChem CID
6031
ChEBI ID
CHEMBL130266
CAS Number
58-98-0
UNII
5G0F599A1Y
DrugBank ID
DB03435
TTD ID
D02HAL
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
UDP-glucose 4-epimerase (GALE) TTGRHIB GALE_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Post-Translational Modifications [3]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Post-Translational Modifications [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1749).
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3 Cellular injury induces activation of MAPK via P2Y receptors. J Cell Biochem. 2004 Apr 1;91(5):938-50. doi: 10.1002/jcb.10774.