Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03233"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Phosphoric Acid Mono-[3-Amino-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-2h-Pyrimidin-1-Yl)-Tetrahydro-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
Ethers
Polyamines
Monoalkylamines
pyrimidone
phosphoric acid ester
organic phosphate
pyrimidine
hydropyrimidine
tetrahydrofuran
oxolane
ether
polyamine
primary aliphatic amine
primary amine
organonitrogen compound
amine
logP
-1.6
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
5.61e+00 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
{[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
321.2237
ChemAxon
Monoisotopic Weight
321.072586393
ChemAxon
SMILES
CC1=CN([C@H]2C[C@@H](N)[C@H](COP(O)(O)=O)O2)C(=O)NC1=O
ChemAxon
Molecular Formula
C10H16N3O7P
ChemAxon
InChI
InChI=1S/C10H16N3O7P/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,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8-/m1/s1
ChemAxon
InChIKey
InChIKey=BQZMHQZNZNBJNF-GJMOJQLCSA-N
ChemAxon
Polar Surface Area (PSA)
151.42
ChemAxon
Refractivity
67.94
ChemAxon
Polarizability
28.17
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.26
ChemAxon
pKa (strongest basic)
9.12
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936617
PubChem Substance
46507265
PDB
NYM
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
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
"
|
| 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