Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03475"

PredicateValue (sorted: default)
rdfs:label
"1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One"
rdf:type
drugbank:description
" experimental This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Phenylpyrrolidines Organic Compounds Heterocyclic Compounds Pyrrolidines Phenylpyrrolidines Aminobenzoic Acid Derivatives Benzoic Acids Benzoyl Derivatives Pyrrolidones Tertiary Carboxylic Acid Amides Pyrroles Polyols Tertiary Amines Lactams Enolates Carboxylic Acids Secondary Amines Polyamines Primary Alcohols benzoic acid benzoic acid or derivative benzoyl benzene pyrrolidone pyrrole tertiary carboxylic acid amide carboxamide group tertiary amine lactam polyol primary alcohol secondary amine carboxylic acid derivative polyamine enolate carboxylic acid amine organonitrogen compound alcohol logP 1.64 ALOGPS logS -2.4 ALOGPS Water Solubility 1.47e+00 g/l ALOGPS logP 0.52 ChemAxon IUPAC Name 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(pentan-3-yl)amino]benzoic acid ChemAxon Traditional IUPAC Name 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid ChemAxon Molecular Weight 350.4094 ChemAxon Monoisotopic Weight 350.184171952 ChemAxon SMILES CCC(CC)NC1=CC(=CC=C1N1C(=O)CCC1(CO)CO)C(O)=O ChemAxon Molecular Formula C18H26N2O5 ChemAxon InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25) ChemAxon InChIKey InChIKey=BNIJJJRESBVRNB-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 110.1 ChemAxon Refractivity 94.74 ChemAxon Polarizability 36.89 ChemAxon Rotatable Bond Count 8 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 4.94 ChemAxon pKa (strongest basic) 3.75 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChEBI 45265 PubChem Compound 444508 PubChem Substance 46505361 ChemSpider 392423 PDB RA2 BE0001930 Neuraminidase Influenza B virus (strain B/Lee/1940) # 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 # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Neuraminidase Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells NA Virion; virion membrane. Cell membrane; apical cell membrane; single-pass type II membrane protein ( 7-35 7.24 51442.0 Influenza B virus (strain B/Lee/1940) GenBank Gene Database J02095 GenBank Protein Database 325236 UniProtKB P03474 UniProt Accession NRAM_INBLE EC 3.2.1.18 >Neuraminidase MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNA QTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFV ACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGS ACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMI TDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKR PFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASK IGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKC DVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL >1401 bp ATGCTACCTTCAACTGTACAAACATTAACCCTATTACTCACATCAGGGGGAGTATTATTA TCACTATATGTGTCAGCCTCATTGTCATACTTATTGTATTCGGATGTATTGCTAAAATTT TCATCAACAAAAACAACTGCACCAACAATGTCATTAGAGTGCACAAACGCATCAAATGCC CAGACTGTGAACCATTCTGCAACAAAAGAGATGACATTTCCACCCCCAGAGCCGGAGTGG ACATACCCTCGTTTATCTTGCCAGGGCTCAACCTTTCAGAAGGCACTCCTAATTAGCCCT CATAGGTTCGGAGAGATCAAAGGAAACTCAGCTCCCTTGATAATAAGAGAACCTTTTGTT GCTTGTGGACCAAAAGAATGCAGACACTTTGCTCTGACCCATTATGCAGCTCAGCCGGGG GGATACTACAATGGAACAAGAAAGGACAGAAACAAGCTGAGGCATCTAGTATCAGTCAAA TTGGGAAAAATCCCAACTGTGGAAAACTCCATTTTCCACATGGCAGCTTGGAGCGGATCC GCATGCCATGATGGTAGAGAATGGACATATATCGGAGTTGATGGTCCTGACAATGATGCA TTGGTCAAAATAAAATATGGAGAAGCATATACTGACACATATCATTCCTATGCACACAAC ATCCTAAGAACACAAGAAAGTGCCTGCAATTGCATCGGGGGAGATTGTTATCTTATGATA ACAGACGGCTCAGCTTCAGGAATTAGTAAATGCAGATTTCTTAAAATTAGAGAGGGTCGA ATAATAAAAGAAATACTTCCAACAGGAAGAGTGGAGCACACTGAAGAGTGCACATGCGGG TTCGCCAGCAATAAAACCATAGAATGTGCCTGTAGAGACAACAGTTACACAGCAAAAAGA CCCTTTGTCAAATTAAATGTGGAAACTGATACAGCTGAAATAAGATTGATGTGCACAAAG ACTTATCTAGACACTCCCAGACCGGATGATGGAAGCATAGCAGGGCCTTGCGAATCTAAT GGAGACAAGTGGCTTGGAGGCATCAAAGGAGGATTCGTCCATCAAAGAATGGCATCTAAG ATTGGAAGATGGTACTCCCGAACGATGTCTAAAACTAACAGAATGGGGATGGAACTGTAT GTAAAGTATGATGGTGACCCATGGACTGACAGTGATGCTCTTACTCTTAGTGGAGTAATG GTTTCCATAGAAGAACCTGGTTGGTATTCTTTTGGCTTCGAAATAAAGGACAAGAAATGT GATGTCCCTTGTATTGGGATAGAGATGGTACACGATGGTGGAAAAGATACTTGGCATTCA GCTGCAACAGCCATTTACTGTTTGATGGGCTCAGGACAATTGCTATGGGACACTGTCACA GGCGTTGATATGGCTTTATAA PF00064 Neur component cell component membrane function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function alpha-sialidase activity function exo-alpha-sialidase activity function catalytic activity function hydrolase activity process physiological process process metabolism process macromolecule metabolism process carbohydrate metabolism "
owl:sameAs

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