Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02543"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Pyrrole-2-Carboxylate"
|
| rdf:type | |
| drugbank:description |
"
experimental
Ahmed Abouabdellah, Luc Even, Aude Fayol, Julien Vache, Philippe Yauche, "CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF." U.S. Patent US20120095040, issued April 19, 2012.
This compound belongs to the pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
Pyrrole 2-Carboxylic Acids
Organic Compounds
Heterocyclic Compounds
Pyrroles
Pyrrole Carboxylic Acids and Derivatives
Substituted Pyrroles
Enolates
Polyamines
Carboxylic Acid Salts
Aromatic Compounds
substituted pyrrole
aromatic compound
polyamine
enolate
carboxylic acid salt
carboxylic acid derivative
organonitrogen compound
logP
0.34
ALOGPS
logS
0.69
ALOGPS
Water Solubility
6.21e+02 g/l
ALOGPS
logP
-0.99
ChemAxon
IUPAC Name
pyrrole-2-carboxylate
ChemAxon
Traditional IUPAC Name
pyrrole-2-carboxylate
ChemAxon
Molecular Weight
109.0828
ChemAxon
Monoisotopic Weight
109.016378345
ChemAxon
SMILES
[O-]C(=O)c1cccn1
ChemAxon
Molecular Formula
C5H3NO2
ChemAxon
InChI
InChI=1S/C5H4NO2/c7-5(8)4-2-1-3-6-4/h1-3H,(H,7,8)/p-1
ChemAxon
InChIKey
InChIKey=LGLLLSXCRNWFKJ-UHFFFAOYSA-M
ChemAxon
Polar Surface Area (PSA)
53.02
ChemAxon
Refractivity
37.28
ChemAxon
Polarizability
9.47
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
1.75
ChemAxon
pKa (strongest basic)
5.14
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
36751
PubChem Compound
3330246
PubChem Substance
46507534
KEGG Compound
C05942
PDB
PYC
BE0001301
Monomeric sarcosine oxidase
Bacillus sp. (strain B-0618)
# 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
Monomeric sarcosine oxidase
Amino acid transport and metabolism
Catalyzes the oxidative demethylation of sarcosine. Can also oxidize other secondary amino acids such as N-methyl-L- alanine
soxA
Cytoplasm
None
5.28
43182.0
Bacillus sp. (strain B-0618)
GenBank Gene Database
D16521
GenBank Protein Database
984788
UniProtKB
P40859
UniProt Accession
MSOX_BACB0
EC 1.5.3.1
MSOX
>Monomeric sarcosine oxidase
MSTHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTRIIRHAYGEGR
EYVPLALRSQELWYELEKETHHKIFTKTGVLVFGPKGESAFVAETMEAAKEHSLTVDLLE
GDEINKRWPGITVPENYNAIFEPNSGVLFSENCIRAYRELAEARGAKVLTHTRVEDFDIS
PDSVKIETANGSYTADKLIVSMGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDI
DFPGFMVEVPNGIYYGFPSFGGCGLKLGYHTFGQKIDPDTINREFGVYPEDESNLRAFLE
EYMPGANGELKRGAVCMYTKTLDEHFIIDLHPEHSNVVIAAGFSGHGFKFSSGVGEVLSQ
LALTGKTEHDISIFSINRPALKESLQKTTI
>1173 bp
ATGAGCACACATTTTGATGTCATCGTTGTTGGAGCTGGATCAATGGGAATGGCGGCAGGT
TATCAATTAGCAAAGCAAGGAGTCAAAACATTATTAGTGGATGCATTTGATCCGCCGCAT
ACAAACGGAAGCCATCACGGTGATACTCGTATCATCCGCCATGCTTACGGTGAGGGAAGA
GAATATGTTCCTCTTGCATTAAGATCACAAGAGTTATGGTATGAACTAGAAAAAGAAACA
CACCATAAAATATTCACGAAAACGGGCGTACTCGTATTTGGTCCTAAAGGTGAATCGGCT
TTCGTTGCAGAAACGATGGAAGCGGCAAAGGAACATTCATTGACTGTTGATTTACTGGAA
GGTGATGAAATAAATAAGCGTTGGCCGGGTATAACGGTTCCGGAAAACTACAATGCTATT
TTCGAACCGAACTCAGGTGTATTATTCAGTGAAAATTGTATTCGTGCCTACCGCGAGTTA
GCTGAAGCGCGAGGTGCTAAAGTTCTAACACATACACGCGTTGAGGACTTTGACATTTCA
CCGGACTCAGTCAAAATCGAAACAGCAAATGGATCATACACAGCTGATAAATTAATTGTT
AGCATGGGAGCTTGGAATAGCAAACTACTTTCAAAACTAAATCTTGACATCCCATTACAG
CCATATCGTCAAGTGGTAGGTTTCTTTGAATCCGATGAATCAAAGTATAGCAATGATATT
GATTTCCCAGGATTCATGGTTGAAGTGCCAAATGGTATTTATTACGGATTCCCAAGCTTC
GGCGGCTGTGGATTGAAACTAGGATATCATACGTTCGGGCAGAAAATTGACCCTGATACA
ATTAATCGCGAATTTGGCGTTTATCCAGAAGATGAAAGTAATCTTCGCGCTTTCTTGGAA
GAATATATGCCAGGAGCAAATGGAGAGTTAAAAAGAGGGGCAGTCTGCATGTACACGAAA
ACATTAGATGAACATTTCATTATAGACTTACATCCTGAACATTCCAACGTAGTCATCGCT
GCCGGCTTCTCTGGCCATGGATTTAAGTTTTCCAGTGGAGTTGGTGAAGTGCTAAGTCAA
TTAGCTTTAACTGGTAAAACAGAGCACGATATTTCAATCTTCTCCATTAACCGTCCTGCT
TTGAAAGAATCGTTACAAAAAACAACTATCTAA
PF01266
DAO
function
oxidoreductase activity, acting on the CH-NH group of donors
function
oxidoreductase activity, acting on the CH-NH group of donors, oxygen as acceptor
function
sarcosine oxidase activity
function
catalytic activity
function
oxidoreductase activity
process
electron transport
process
aromatic compound metabolism
process
folic acid and derivative metabolism
process
physiological process
process
tetrahydrofolate metabolism
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
"
|
| 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