Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03195"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Phosphoric Acid Mono-[3-Fluoro-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-2h-Pyrimidin-1-Yl)-Tetrahyro-Furan-2-Ylmethyl] Ester"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.
Pyrimidine Deoxyribonucleotides
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine 2',3'-dideoxyribonucleoside Monophosphates
Pyrimidine Nucleosides and Analogues
Pyrimidones
Organophosphate Esters
Hydropyrimidines
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Polyamines
Ethers
Organofluorides
Alkyl Fluorides
pyrimidone
organic phosphate
pyrimidine
hydropyrimidine
phosphoric acid ester
tetrahydrofuran
oxolane
polyamine
ether
organonitrogen compound
organofluoride
organohalogen
amine
alkyl halide
alkyl fluoride
logP
-0.81
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
6.05e+00 g/l
ALOGPS
logP
-0.35
ChemAxon
IUPAC Name
{[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
324.1995
ChemAxon
Monoisotopic Weight
324.052265529
ChemAxon
SMILES
[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O
ChemAxon
Molecular Formula
C10H14FN2O7P
ChemAxon
InChI
InChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
ChemAxon
InChIKey
InChIKey=GGCAVPJXJISBOA-XLPZGREQSA-N
ChemAxon
Polar Surface Area (PSA)
125.4
ChemAxon
Refractivity
64.59
ChemAxon
Polarizability
26.61
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
447405
PubChem Substance
46505533
ChemSpider
394520
PDB
FDM
BE0001221
Thymidylate kinase
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
Thymidylate kinase
Nucleotide transport and metabolism
Catalyzes the conversion of dTMP to dTDP
DTYMK
2q37.3
None
8.49
23820.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3061
GenAtlas
DTYMK
GeneCards
DTYMK
GenBank Gene Database
X54729
GenBank Protein Database
37206
UniProtKB
P23919
UniProt Accession
KTHY_HUMAN
dTMP kinase
EC 2.7.4.9
>Thymidylate kinase
MAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIGKLLSSYLQKK
SDVEDHSVHLLFSANRWEQVPLIKEKLSQGVTLVVDRYAFSGVAFTGAKENFSLDWCKQP
DVGLPKPDLVLFLQLQLADAAKRGAFGHERYENGAFQERALRCFHQLMKDTTLNWKMVDA
SKSIEAVHEDIRVLSEDAIRTATEKPLGELWK
>636 bp
ATGGCGGCCCGGCGCGGGGCTCTCATAGTGCTGGAGGGCGTGGACCGCGCCGGGAAGAGC
ACGCAGAGCCGCAAGCTGGTGGAAGCGCTGTCGCGCGGGCCACCGCCCGAACTGCTCCGG
TTCCCGGAAAGATCAACTGAAATCGGCAAACTTCTGAGTTCCTACTTGCAAAAGAAAAGT
GACGTGGAGGATCACTCGGTGCACCTGCTTTTTTCTGCAAATCGCTGGGAACAAGTGCCG
TTAATTAAGGAAAAGTTGAGCCAGGGCGTGACCCTCGTCGTGGACAGATACGCATTTTCT
GGTGTGGCCTTCACCGGTGCCAAGGAGAATTTTTCCCTAGACTGGTGTAAACAGCCAGAC
GTGGGCCTTCCCAAACCCGACCTGGTCCTGTTCCTCCAGTTACAGCTGGCGGATGCTGCC
AAGCGGGGAGCGTTTGGCCATGAGCGCTATGAGAACGGGGCTTTCCAGGAGCGGGCGCTC
CGGTGTTTCCACCAGCTCATGAAAGACACGACTTTGAACTGGAAGATGGTGGATGCTTCC
AAAAGACTCGAAGCTGTCCATGAGGAACTCCGCGTGCTCTCTGAGGACGCCATCCGCACT
GCCACAGAGAAGCCGCTGGGGGAGCTATGGAAGTGA
PF02223
Thymidylate_kin
function
catalytic activity
function
phosphotransferase activity, phosphate group as acceptor
function
nucleotide binding
function
thymidylate kinase activity
function
purine nucleotide binding
function
adenyl nucleotide binding
function
transferase activity
function
ATP binding
function
transferase activity, transferring phosphorus-containing groups
function
binding
process
nucleotide metabolism
process
pyrimidine nucleotide metabolism
process
metabolism
process
pyrimidine nucleotide biosynthesis
process
cellular metabolism
process
pyrimidine nucleoside triphosphate biosynthesis
process
pyrimidine deoxyribonucleoside triphosphate biosynthesis
process
dTTP biosynthesis
process
pyrimidine nucleoside diphosphate biosynthesis
process
pyrimidine deoxyribonucleoside diphosphate biosynthesis
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
dTDP biosynthesis
process
physiological process
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object