Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02969"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"4-Methyl-5-Hydroxyethylthiazole"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.
4,5-disubstituted Thiazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Primary Alcohols
Polyamines
polyamine
primary alcohol
alcohol
organonitrogen compound
logP
0.67
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
2.26e+00 g/l
ALOGPS
logP
0.42
ChemAxon
IUPAC Name
2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol
ChemAxon
Traditional IUPAC Name
2-(4-methyl-1,3-thiazol-5-yl)ethanol
ChemAxon
Molecular Weight
143.207
ChemAxon
Monoisotopic Weight
143.040484605
ChemAxon
SMILES
CC1=C(CCO)SC=N1
ChemAxon
Molecular Formula
C6H9NOS
ChemAxon
InChI
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
ChemAxon
InChIKey
InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
33.12
ChemAxon
Refractivity
37.32
ChemAxon
Polarizability
14.92
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.62
ChemAxon
pKa (strongest basic)
3.12
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
1136
PubChem Substance
46508304
PDB
TZE
BE0001879
Hydroxyethylthiazole kinase
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
Hydroxyethylthiazole kinase
Coenzyme transport and metabolism
ATP + 4-methyl-5-(2-hydroxyethyl)thiazole = ADP + 4-methyl-5-(2-phosphonooxyethyl)thiazole
thiM
None
5.58
28214.0
Bacillus subtilis (strain 168)
GenBank Gene Database
X73124
UniProtKB
P39593
UniProt Accession
THIM_BACSU
4-methyl-5-beta- hydroxyethylthiazole kinase
EC 2.7.1.50
TH kinase
Thz kinase
>Hydroxyethylthiazole kinase
MDAQSAAKCLTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAG
ALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAI
RGNAAEIAHTVGVTDWLIKGVDAGEGGGDIIRLAQQAAQKLNTVIAITGEVDVIADTSHV
YTLHNGHKLLTKVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQTADKG
PGSFQIELLNKLSTVTEQDVQEWATIERVTVS
>819 bp
ATGGATGCACAATCAGCAGCAAAATGTCTTACGGCTGTCCGCCGGCATAGCCCACTGGTG
CATAGCATAACCAACAATGTCGTAACGAATTTCACAGCAAACGGCCTGCTCGCGCTCGGC
GCATCGCCCGTTATGGCGTACGCAAAAGAAGAGGTCGCCGATATGGCGAAAATTGCGGGT
GCACTCGTTTTAAATATCGGAACACTGAGCAAGGAGTCAGTCGAAGCGATGATCATCGCG
GGAAAATCAGCTAATGAACATGGCGTTCCCGTCATTCTTGATCCTGTCGGTGCCGGAGCA
ACACCGTTCCGCACTGAATCGGCACGTGACATCATTCGTGAGGTGCGCCTTGCTGCAATC
AGAGGAAATGCGGCGGAAATTGCCCATACCGTCGGCGTGACCGATTGGCTGATCAAAGGT
GTTGATGCGGGTGAAGGTGGAGGCGACATCATCCGGCTGGCTCAGCAGGCGGCACAAAAG
CTAAACACGGTCATTGCGATAACTGGTGAAGTTGATGTCATAGCCGACACGTCACATGTA
TACACCCTTCATAACGGCCACAAGCTGCTGACAAAAGTGACAGGCGCCGGTTGCCTGCTG
ACTTCCGTCGTCGGTGCGTTTTGCGCTGTGGAAGAAAATCCATTGTTTGCTGCTATTGCG
GCCATTTCTTCGTATGGGGTCGCCGCTCAGCTTGCCGCACAGCAGACGGCTGACAAAGGC
CCTGGAAGCTTTCAGATTGAATTGCTGAACAAGCTTTCAACTGTTACTGAACAAGACGTC
CAAGAATGGGCGACTATAGAAAGGGTGACTGTCTCATGA
PF02110
HK
function
catalytic activity
function
hydroxyethylthiazole kinase activity
function
transferase activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
process
metabolism
process
cellular metabolism
process
vitamin metabolism
process
water-soluble vitamin metabolism
process
thiamin and derivative metabolism
process
thiamin metabolism
process
physiological process
process
thiamin biosynthesis
"
|
| 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