Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02887"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Triphosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.
Pyrimidine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Organic Pyrophosphates
Pyrimidones
Organophosphate Esters
Hydropyrimidines
Organic Phosphoric Acids
Dihydrofurans
Ethers
Polyamines
organic pyrophosphate
pyrimidone
phosphoric acid ester
hydropyrimidine
pyrimidine
organic phosphate
dihydrofuran
polyamine
ether
amine
organonitrogen compound
logP
0.39
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
5.45e+00 g/l
ALOGPS
logP
-1.2
ChemAxon
IUPAC Name
{[hydroxy({[hydroxy({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[hydroxy({hydroxy[(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
ChemAxon
Molecular Weight
464.153
ChemAxon
Monoisotopic Weight
463.978698112
ChemAxon
SMILES
CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O
ChemAxon
Molecular Formula
C10H15N2O13P3
ChemAxon
InChI
InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
ChemAxon
InChIKey
InChIKey=ODSQODTUNULBHF-JGVFFNPUSA-N
ChemAxon
Polar Surface Area (PSA)
218.46
ChemAxon
Refractivity
87.93
ChemAxon
Polarizability
34.33
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
0.9
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
65355
PubChem Substance
46508611
ChemSpider
2836
PDB
D4T
BE0003106
Nucleoside diphosphate kinase A
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Nucleoside diphosphate kinase A
Involved in nucleoside diphosphate kinase activity
Major role in the synthesis of nucleoside triphosphates other than ATP
NME1
17q21.3
Cytoplasm. Nucleus
None
6.11
17149.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7849
GenAtlas
NME1
GenBank Gene Database
X75598
UniProtKB
P15531
UniProt Accession
NDKA_HUMAN
EC 2.7.4.6
GAAD
Granzyme A-activated DNase
Metastasis inhibition factor nm23
NDK A
NDP kinase A
nm23-H1
Tumor metastatic process-associated protein
>Nucleoside diphosphate kinase A
MANCERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVGLKFMQASEDLLKEHYVDLKDRPF
FAGLVKYMHSGPVVAMVWEGLNVVKTGRVMLGETNPADSKPGTIRGDFCIQVGRNIIHGS
DSVESAEKEIGLWFHPEELVDYTSCAQNWIYE
>459 bp
ATGGCCAACTGTGAGCGTACCTTCATTGCGATCAAACCAGATGGGGTCCAGCGGGGTCTT
GTGGGAGAGATTATCAAGCGTTTTGAGCAGAAAGGATTCCGCCTTGTTGGTCTGAAATTC
ATGCAAGCTTCCGAAGATCTTCTCAAGGAACACTACGTTGACCTGAAGGACCGTCCATTC
TTTGCCGGCCTGGTGAAATACATGCACTCAGGGCCGGTAGTTGCCATGGTCTGGGAGGGG
CTGAATGTGGTGAAGACGGGCCGAGTCATGCTCGGGGAGACCAACCCTGCAGACTCCAAG
CCTGGGACCATCCGTGGAGACTTCTGCATACAAGTTGGCAGGAACATTATACATGGCAGT
GATTCTGTGGAGAGTGCAGAGAAGGAGATCGGCTTGTGGTTTCACCCTGAGGAACTGGTA
GATTACACGAGCTGTGCTCAGAACTGGATCTATGAATGA
PF00334
NDK
function
catalytic activity
function
nucleotide binding
function
phosphotransferase activity, phosphate group as acceptor
function
ion binding
function
metal ion binding
function
purine nucleotide binding
function
magnesium ion binding
function
adenyl nucleotide binding
function
nucleoside diphosphate kinase activity
function
transferase activity
function
ATP binding
function
binding
function
transferase activity, transferring phosphorus-containing groups
process
nucleotide metabolism
process
pyrimidine ribonucleoside triphosphate biosynthesis
process
metabolism
process
purine nucleotide metabolism
process
UTP biosynthesis
process
cellular metabolism
process
purine nucleotide biosynthesis
process
purine nucleoside triphosphate biosynthesis
process
purine ribonucleoside triphosphate biosynthesis
process
GTP biosynthesis
process
CTP biosynthesis
process
nucleoside triphosphate metabolism
process
nucleoside triphosphate biosynthesis
process
physiological process
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
ribonucleoside triphosphate biosynthesis
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object