Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04440"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| drugbank:description |
"
550-33-4
experimental
This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).
Glycosylamines
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Purines and Purine Derivatives
Pyrimidines and Pyrimidine Derivatives
N-substituted Imidazoles
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Primary Alcohols
Ethers
Polyamines
pentose monosaccharide
purine
imidazopyrimidine
pyrimidine
n-substituted imidazole
monosaccharide
oxolane
azole
imidazole
tetrahydrofuran
secondary alcohol
1,2-diol
polyamine
primary alcohol
ether
amine
organonitrogen compound
alcohol
logP
-2
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
1.00e+01 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-7-ium
ChemAxon
Traditional IUPAC Name
purine riboside
ChemAxon
Molecular Weight
253.2346
ChemAxon
Monoisotopic Weight
253.093679924
ChemAxon
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=[NH+]C2=C1N=CN=C2
ChemAxon
Molecular Formula
C10H13N4O4
ChemAxon
InChI
InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8+,10+/m0/s1
ChemAxon
InChIKey
InChIKey=MRWXACSTFXYYMV-QHOPCYEYSA-O
ChemAxon
Polar Surface Area (PSA)
114.77
ChemAxon
Refractivity
58.48
ChemAxon
Polarizability
23.84
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.45
ChemAxon
pKa (strongest basic)
3.77
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
1E+005 mg/L
MERCK (1989)
Melting Point
181 °C
PhysProp
ChEBI
18255
PubChem Compound
46936979
PubChem Substance
46507074
KEGG Compound
C01736
PDB
PUR
BE0002214
Adenosine deaminase
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
Adenosine deaminase
Replication, recombination and repair
Adenosine + H(2)O = inosine + NH(3)
ADA
20q12-q13.11
Cytoplasmic
None
5.8
40765.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:186
GenAtlas
ADA
GeneCards
ADA
GenBank Gene Database
X02994
GenBank Protein Database
28380
UniProtKB
P00813
UniProt Accession
ADA_HUMAN
Adenosine aminohydrolase
EC 3.5.4.4
>Adenosine deaminase
MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD
FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI
DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY
HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF
KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG
QNL
>1092 bp
ATGGCCCAGACGCCCGCCTTCGACAAGCCCAAAGTAGAACTGCATGTCCACCTAGACGGA
TCCATCAAGCCTGAAACCATCTTATACTATGGCAGGAGGAGAGGGATCGCCCTCCCAGCT
AACACAGCAGAGGGGCTGCTGAACGTCATTGGCATGGACAAGCCGCTCACCCTTCCAGAC
TTCCTGGCCAAGTTTGACTACTACATGCCTGCTATCGCGGGCTGCCGGGAGGCTATCAAA
AGGATCGCCTATGAGTTTGTAGAGATGAAGGCCAAAGAGGGCGTGGTGTATGTGGAGGTG
CGGTACAGTCCGCACCTGCTGGCCAACTCCAAAGTGGAGCCAATCCCCTGGAACCAGGCT
GAAGGGGACCTCACCCCAGACGAGGTGGTGGCCCTAGTGGGCCAGGGCCTGCAGGAGGGG
GAGCGAGACTTCGGGGTCAAGGCCCGGTCCATCCTGTGCTGCATGCGCCACCAGCCCAAC
TGGTCCCCCAAGGTGGTGGAGCTGTGTAAGAAGTACCAGCAGCAGACCGTGGTGGCCATT
GACCTGGCTGGAGATGAGACCATCCCAGGAAGCAGCCTCTTGCCTGGACATGTCCAGGCC
TACCAGGAGGCTGTGAAGAGCGGCATTCACCGTACTGTCCACGCCGGGGAGGTGGGCTCG
GCCGAAGTAGTAAAAGAGGCTGTGGACATACTCAAGACAGAGCGGCTGGGACACGGCTAC
CACACCCTGGAAGACCAGGCCCTTTATAACAGGCTGCGGCAGGAAAACATGCACTTCGAG
ATCTGCCCCTGGTCCAGCTACCTCACTGGTGCCTGGAAGCCGGACACGGAGCATGCAGTC
ATTCGGCTCAAAAATGACCAGGCTAACTACTCGCTCAACACAGATGACCCGCTCATCTTC
AAGTCCACCCTGGACACTGATTACCAGATGACCAAACGGGACATGGGCTTTACTGAAGAG
GAGTTTAAAAGGCTGAACATCAATGCGGCCAAATCTAGTTTCCTCCCAGAAGATGAAAAG
AGGGAGCTTCTCGACCTGCTCTATAAAGCCTATGGGATGCCACCTTCAGCCTCTGCAGGG
CAGAACCTCTGA
PF00962
A_deaminase
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
function
deaminase activity
function
adenosine deaminase activity
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
catalytic activity
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
purine nucleoside monophosphate biosynthesis
process
purine ribonucleoside monophosphate biosynthesis
process
purine nucleotide metabolism
process
physiological process
process
purine nucleotide biosynthesis
"
|
| rdfs:label |
"Purine Riboside"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object