Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03562"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Tetrahydrodeoxyuridine"
|
| 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
Pentoses
Ureides
Pyrimidones
Diazinanes
N-unsubstituted Carboxylic Acid Imides
Tetrahydrofurans
Oxolanes
Secondary Carboxylic Acid Amides
Tertiary Amines
Secondary Alcohols
Primary Alcohols
Ethers
Polyamines
Carboxylic Acids
pentose monosaccharide
ureide
pyrimidone
monosaccharide
1,3-diazinane
pyrimidine
oxolane
carboxylic acid imide, n-unsubstituted
tetrahydrofuran
secondary alcohol
secondary carboxylic acid amide
carboxamide group
tertiary amine
primary alcohol
polyamine
carboxylic acid
ether
carboxylic acid derivative
organonitrogen compound
amine
alcohol
logP
-1.7
ALOGPS
logS
-0.3
ALOGPS
Water Solubility
1.15e+02 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
ChemAxon
Traditional IUPAC Name
tetrahydrodeoxyuridine
ChemAxon
Molecular Weight
230.2179
ChemAxon
Monoisotopic Weight
230.090271568
ChemAxon
SMILES
OC[C@H]1O[C@@H](C[C@@H]1O)N1CCC(=O)NC1=O
ChemAxon
Molecular Formula
C9H14N2O5
ChemAxon
InChI
InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8-/m0/s1
ChemAxon
InChIKey
InChIKey=XMJRLEURHMTTRX-BBVRLYRLSA-N
ChemAxon
Polar Surface Area (PSA)
99.1
ChemAxon
Refractivity
50.83
ChemAxon
Polarizability
22.11
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.64
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936717
PubChem Substance
46507365
PDB
THU
BE0001980
Cytidine deaminase
Bacillus subtilis (strain 168)
# 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
Cytidine deaminase
Nucleotide transport and metabolism
This enzyme scavenge exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis
cdd
Cytoplasmic
None
4.62
14854.0
Bacillus subtilis (strain 168)
GenBank Gene Database
U18532
GenBank Protein Database
606744
UniProtKB
P19079
UniProt Accession
CDD_BACSU
CDA
Cytidine aminohydrolase
EC 3.5.4.5
>Cytidine deaminase
MNRQELITEALKARDMAYAPYSKFQVGAALLTKDGKVYRGCNIENAAYSMCNCAERTALF
KAVSEGDTEFQMLAVAADTPGPVSPCGACRQVISELCTKDVIVVLTNLQGQIKEMTVEEL
LPGAFSSEDLHDERKL
>411 bp
ATGAACAGACAAGAATTAATAACAGAAGCTTTAAAAGCGCGTGATATGGCATATGCGCCG
TATTCCAAATTCCAAGTAGGAGCCGCTCTTCTTACCAAGGATGGAAAAGTGTACAGAGGC
TGCAATATTGAGAACGCGGCATACAGCATGTGCAATTGCGCCGAGCGTACCGCTTTATTT
AAAGCTGTTTCTGAAGGGGATACAGAGTTTCAGATGCTGGCCGTTGCGGCTGACACCCCT
GGACCAGTATCTCCGTGCGGAGCCTGCCGACAGGTGATTTCTGAGCTTTGCACAAAAGAC
GTTATTGTCGTACTGACTAATTTACAAGGACAAATAAAAGAAATGACTGTGGAAGAATTA
TTGCCAGGCGCATTTTCATCGGAGGATTTACATGACGAACGAAAGCTTTAA
PF00383
dCMP_cyt_deam_1
function
catalytic activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
function
cytidine deaminase activity
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
process
metabolism
process
cellular metabolism
process
pyrimidine nucleoside metabolism
process
pyrimidine ribonucleoside metabolism
process
cytidine metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
nucleoside metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object