Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03155"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-(2-Deoxy-2-Fluoro-3-O-Phosphono-Beta-L-Ribofuranosyl)Pyrimidine-2,4(1h,3h)-Dione"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
Pyrimidine 2'-deoxyribonucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Pyrimidones
Organophosphate Esters
Organic Phosphoric Acids
Hydropyrimidines
Tetrahydrofurans
Oxolanes
Primary Alcohols
Polyamines
Ethers
Organofluorides
Alkyl Fluorides
pentose monosaccharide
pyrimidone
hydropyrimidine
monosaccharide
phosphoric acid ester
pyrimidine
organic phosphate
oxolane
tetrahydrofuran
polyamine
primary alcohol
ether
organonitrogen compound
organofluoride
alcohol
organohalogen
amine
alkyl halide
alkyl fluoride
logP
-0.68
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
8.91e+00 g/l
ALOGPS
logP
-1.6
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid
ChemAxon
Molecular Weight
326.1723
ChemAxon
Monoisotopic Weight
326.031530087
ChemAxon
SMILES
OC[C@@H]1O[C@H]([C@H](F)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O
ChemAxon
Molecular Formula
C9H12FN2O8P
ChemAxon
InChI
InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6+,7+,8+/m0/s1
ChemAxon
InChIKey
InChIKey=IFIXUMAFUNKIAA-MLQRGLMKSA-N
ChemAxon
Polar Surface Area (PSA)
145.63
ChemAxon
Refractivity
61.75
ChemAxon
Polarizability
25.73
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
0.58
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936585
PubChem Substance
46507005
PDB
UMF
BE0003317
Ribonuclease pancreatic
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
Ribonuclease pancreatic
Involved in nucleic acid binding
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA
RNASE1
14q11.2
Secreted protein
None
8.94
17644.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10044
GenAtlas
RNASE1
GenBank Gene Database
D26129
UniProtKB
P07998
UniProt Accession
RNAS1_HUMAN
EC 3.1.27.5
HP-RNase
RIB-1
Ribonuclease pancreatic precursor
RNase 1
RNase A
RNase UpI-1
>Ribonuclease pancreatic
MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRR
RNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRY
PNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST
>471 bp
ATGGCTCTGGAGAAGTCTCTTGTCCGGCTCCTTCTGCTTGTCCTGATACTGCTGGTGCTG
GGCTGGGTCCAGCCTTCCCTGGGCAAGGAATCCCGGGCCAAGAAATTCCAGCGGCAGCAT
ATGGACTCAGACAGTTCCCCCAGCAGCAGCTCCACCTACTGTAACCAAATGATGAGGCGC
CGGAATATGACACAGGGGCGGTGCAAACCAGTGAACACCTTTGTGCACGAGCCCCTGGTA
GATGTCCAGAATGTCTGTTTCCAGGAAAAGGTCACCTGCAAGAACGGGCAGGGCAACTGC
TACAAGAGCAACTCCAGCATGCACATCACAGACTGCCGCCTGACAAACGGCTCCAGGTAC
CCCAACTGTGCATACCGGACCAGCCCGAAGGAGAGACACATCATTGTGGCCTGTGAAGGG
AGCCCATATGTGCCAGTCCACTTTGATGCTTCTGTGGAGGACTCTACCTAA
PF00074
RnaseA
function
hydrolase activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
nuclease activity
function
endonuclease activity
function
endoribonuclease activity
function
endoribonuclease activity, producing 3'-phosphomonoesters
function
pancreatic ribonuclease activity
function
binding
function
catalytic activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object