Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02607"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Primary Aromatic Amines
N-substituted Imidazoles
Tetrahydrofurans
Organic Phosphonic Acids
Oxolanes
1,2-Diols
Secondary Alcohols
Carboxylic Acid Esters
Enolates
Ethers
Polyamines
pentose monosaccharide
purine
imidazopyrimidine
aminopyrimidine
pyrimidine
primary aromatic amine
monosaccharide
n-substituted imidazole
azole
phosphonic acid
imidazole
phosphonic acid derivative
oxolane
tetrahydrofuran
secondary alcohol
1,2-diol
carboxylic acid ester
polyamine
carboxylic acid derivative
enolate
ether
organonitrogen compound
primary amine
amine
alcohol
logP
-2.6
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
2.97e+00 g/l
ALOGPS
logP
-5.7
ChemAxon
IUPAC Name
(2-{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-2-oxoethyl)phosphonic acid
ChemAxon
Traditional IUPAC Name
2-{[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-2-oxoethylphosphonic acid
ChemAxon
Molecular Weight
389.2579
ChemAxon
Monoisotopic Weight
389.073649025
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COC(=O)CP(O)(O)=O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C12H16N5O8P
ChemAxon
InChI
InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(20)8(19)5(25-12)1-24-6(18)2-26(21,22)23/h3-5,8-9,12,19-20H,1-2H2,(H2,13,14,15)(H2,21,22,23)/t5-,8-,9+,12+/m0/s1
ChemAxon
InChIKey
InChIKey=KJNLSEOJEFDELT-REFFQAGNSA-N
ChemAxon
Polar Surface Area (PSA)
203.14
ChemAxon
Refractivity
83.34
ChemAxon
Polarizability
33.77
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.64
ChemAxon
pKa (strongest basic)
4.99
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936436
PubChem Substance
46507434
PDB
SON
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
"
|
| rdfs:label |
"Adenosine Phosphonoacetic Acid"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object