Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02163"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
95-78-3
experimental
This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.
Anilines
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Anilines
Toluenes
Primary Aromatic Amines
Polyamines
primary aromatic amine
polyamine
primary amine
amine
organonitrogen compound
logP
1.79
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
5.07e+00 g/l
ALOGPS
logP
2.17
ChemAxon
IUPAC Name
2,5-dimethylaniline
ChemAxon
Traditional IUPAC Name
2,5-xylidine
ChemAxon
Molecular Weight
121.1796
ChemAxon
Monoisotopic Weight
121.089149357
ChemAxon
SMILES
CC1=CC=C(C)C(N)=C1
ChemAxon
Molecular Formula
C8H11N
ChemAxon
InChI
InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
ChemAxon
InChIKey
InChIKey=VOWZNBNDMFLQGM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
26.02
ChemAxon
Refractivity
40.84
ChemAxon
Polarizability
14.46
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
4.65
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
5600 mg/L (at 12 °C)
CHEM INSPECT TEST INST (1992)
Melting Point
15.5 °C
PhysProp
Boiling Point
214 °C
PhysProp
logP
1.83
DEBNATH,AK ET AL. (1992)
pKa
4.53 (at 25 °C)
PERRIN,DD (1965)
ChEBI
518305
PubChem Compound
7259
PubChem Substance
46508418
ChemSpider
13869434
PDB
XYD
Wikipedia
2,5-Xylidine
BE0001229
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# 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
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Coenzyme transport and metabolism
Catalyzes the synthesis of alpha-ribazole-5'-phosphate from nicotinate mononucleotide (NAMN) and 5,6- dimethylbenzimidazole (DMB)
cobT
None
6.3
36613.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
L35477
GenBank Protein Database
535767
UniProtKB
Q05603
UniProt Accession
COBT_SALTY
EC 2.4.2.21
N(1)-alpha-phosphoribosyltransferase
NN:DBI PRT
>Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMPGLNGTPQVGE
KAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVLAAQAGAKVHVIDVGIDAE
PIPGVVNMRVARGCGNIAVGPAMSRLQAEALLLEVSRYTCDLAQRGVTLFGVGELGMANT
TPAAAMVSVFTGSDAKEVVGIGANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGG
FDLVGMTGVMLGAARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIAL
AHLSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLPEGNANAT
>1101 bp
ATGAGCCGATTATTACGGACGAGACATCTTATGCAGACACTACACGCTTTACTCCGTGAC
ATTCCTGCGCCGGACGCCGAGGCGATGGCGCGTACGCAGCAACATATTGACGGCCTGCTC
AAACCGCCGGGCAGCCTGGGCAGACTGGAAACCTTAGCCGTTCAGCTCGCGGGTATGCCG
GGTCTTAACGGTACGCCGCAGGTAGGTGAAAAGGCGGTGCTGGTGATGTGCGCCGACCAT
GGCGTCTGGGATGAAGGCGTAGCGGTTTCGCCCAAAATCGTGACGGCGATTCAGGCGGCG
AATATGACGCGGGGAACAACCGGCGTATGCGTGCTTGCCGCTCAGGCCGGTGCGAAGGTG
CATGTCATTGATGTCGGTATTGATGCCGAACCTATTCCTGGCGTAGTTAATATGCGCGTC
GCGCGCGGCTGCGGAAATATTGCCGTTGGCCCGGCGATGAGTCGCTTGCAGGCTGAGGCG
CTTTTACTGGAGGTTTCCCGCTGCGCCTGCGACCTGGCGCAACGCGGCGTGACCTTATTT
GGCGTAGGGGAACTGGGAATGGCGAACACTACGCCAGCCGCCGCGATGGTCAGCGTTTTT
ACAGGAAGTGATGCAAAAGAGGTGGTGGGGATTGGCGCGAATCTTCCGCCTTCCCGCATC
GATAATAAAGTGGACGTCGTGCGGCGGGCGATTGCGATTAATCAGCCCAATCCGCGCGAC
GGCATTGATGTGTTGTCGAAGGTGGGTGGTTTTGATCTGGTCGGGATGACCGGCGTGATG
CTTGGCGCGGCAAGGTGTGGCTTACCCGTATTGCTGGATGGCTTTCTTTCCTACTCGGCA
GCGCTGGCGGCCTGTCAGATTGCGCCTGCGGTGAGACCTTATCTGATCCCGTCGCACTTT
TCGGCGGAAAAGGGCGCCCGCATCGCGCTCGCGCATTTGTCTATGGAACCCTATTTGCAT
ATGGCGATGCGGTTAGGTGAAGGAAGCGGCGCGGCGCTGGCGATGCCGATCGTGGAAGCC
GCGTGCGCCATGTTCCACAACATGGGGGAGTTGGCGGCCAGTAATATTGTCCTGCCGGAG
GGGAACGCAAACGCAACATAA
PF02277
DBI_PRT
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
heterocycle metabolism
process
porphyrin metabolism
process
porphyrin biosynthesis
process
physiological process
process
cobalamin biosynthesis
"
|
| owl:sameAs | |
| rdfs:label |
"2,5-Xylidine"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object