Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02980"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Thymidine-5'-(Dithio)Phosphate"
|
| drugbank: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
Pyrimidones
Hydropyrimidines
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
pyrimidone
hydropyrimidine
pyrimidine
oxolane
tetrahydrofuran
secondary alcohol
ether
polyamine
alcohol
organonitrogen compound
amine
logP
0.66
ALOGPS
logS
-2.8
ALOGPS
Water Solubility
5.28e-01 g/l
ALOGPS
logP
0.25
ChemAxon
IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl disulfanylphosphinate
ChemAxon
Traditional IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methyl disulfanylphosphinate
ChemAxon
Molecular Weight
354.34
ChemAxon
Monoisotopic Weight
354.010914114
ChemAxon
SMILES
CC1=CN([C@H]2C[C@@H](O)[C@H](COP(S)(S)=O)O2)C(=O)NC1=O
ChemAxon
Molecular Formula
C10H15N2O6PS2
ChemAxon
InChI
InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8-/m1/s1
ChemAxon
InChIKey
InChIKey=KMPXQZWMYQHTNT-GJMOJQLCSA-N
ChemAxon
Polar Surface Area (PSA)
105.17
ChemAxon
Refractivity
74.27
ChemAxon
Polarizability
31.78
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
0.87
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46936547
PubChem Substance
46505644
PDB
THS
BE0001587
Nuclease P1
Penicillium citrinum
# 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
Nuclease P1
Involved in hydrolase activity, acting on ester bonds
Hydrolyzes only single stranded DNA and RNA without apparent specificity for bases
Secreted protein
None
4.52
29227.0
Penicillium citrinum
UniProtKB
P24289
UniProt Accession
NUP1_PENCI
Deoxyribonuclease P1
EC 3.1.30.1
Endonuclease P1
>Nuclease P1
WGALGHATVAYVAQHYVSPEAASWAQGILGSSSSSYLASIASWADEYRLTSAGKWSASLH
FIDAEDNPPTNCNVDYERDCGSSGCSISAIANYTQRVSDSSLSSENHAEALRFLVHFIGD
MTQPLHDEAYAVGGNKINVTFDGYHDNLHSDWDTYMPQKLIGGHALSDAESWAKTLVQNI
ESGNYTAQAIGWIKGDNISEPITTATRWASDANALVCTVVMPHGAAALQTGDLYPTYYDS
VIDTIELQIAKGGYRLANWINEIHGSEIAK
PF02265
S1-P1_nuclease
function
catalytic activity
function
hydrolase activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
nuclease activity
function
binding
function
endonuclease activity
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
DNA metabolism
process
physiological process
process
DNA catabolism
"
|
| rdf:type | |
| 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