Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03177"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"5-methylbenzimidazole"
|
| rdf:type | |
| ns1:description |
"
614-97-1
experimental
# Klimesova V, Koci J, Waisser K, Kaustova J: New benzimidazole derivatives as antimycobacterial agents. Farmaco. 2002 Apr;57(4):259-65. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11989805
This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Benzimidazoles
Organic Compounds
Heterocyclic Compounds
Benzimidazoles
Toluenes
Imidazoles
Polyamines
toluene
benzene
imidazole
azole
polyamine
organonitrogen compound
5-methyl-1H-benzimidazole
6-methyl-1H-benzimidazole
ethyl 4-cyanophenylalaninate
Anti-Bacterial Agents
Mycobacterium
logP
1.82
ALOGPS
logS
-1.3
ALOGPS
Water Solubility
6.80e+00 g/l
ALOGPS
logP
1.77
ChemAxon
IUPAC Name
6-methyl-1H-1,3-benzodiazole
ChemAxon
Traditional IUPAC Name
5-methylbenzimidazole
ChemAxon
Molecular Weight
132.1625
ChemAxon
Monoisotopic Weight
132.068748266
ChemAxon
SMILES
CC1=CC2=C(C=C1)N=CN2
ChemAxon
Molecular Formula
C8H8N2
ChemAxon
InChI
InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
ChemAxon
InChIKey
InChIKey=RWXZXCZBMQPOBF-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
28.68
ChemAxon
Refractivity
40.01
ChemAxon
Polarizability
14.4
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
12.46
ChemAxon
pKa (strongest basic)
6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
114-117 °C
PhysProp
Boiling Point
169-172 °C at 1.00E+00 mm Hg
PhysProp
ChEBI
40205
PubChem Compound
11979
PubChem Substance
46504795
PDB
5MB
BE0001229
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# Cheong CG, Escalante-Semerena JC, Rayment I: Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica. J Biol Chem. 2001 Oct 5;276(40):37612-20. Epub 2001 Jul 5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11441022
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
"
|
| ns1:drugCategory | |
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object