Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07958"

Predicate	Value (sorted: default)
rdfs:label	"(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl Carboxylic Acids and Derivatives Organic Compounds Heterocyclic Compounds Indoles and Derivatives Indolyl Carboxylic Acids and Derivatives Indoles Substituted Pyrroles Benzene and Substituted Derivatives Primary Carboxylic Acid Amides Enolates Carboxylic Acids Polyamines indole benzene substituted pyrrole pyrrole primary carboxylic acid amide carboxamide group carboxylic acid derivative enolate polyamine carboxylic acid amine organonitrogen compound logP 1.77 ALOGPS logS -3.7 ALOGPS Water Solubility 5.02e-02 g/l ALOGPS logP 1.86 ChemAxon IUPAC Name 2-[2-(carbamoylmethyl)-5-propyl-1H-indol-7-yl]acetic acid ChemAxon Traditional IUPAC Name [2-(carbamoylmethyl)-5-propyl-1H-indol-7-yl]acetic acid ChemAxon Molecular Weight 274.315 ChemAxon Monoisotopic Weight 274.131742452 ChemAxon SMILES CCCC1=CC2=C(NC(CC(N)=O)=C2)C(CC(O)=O)=C1 ChemAxon Molecular Formula C15H18N2O3 ChemAxon InChI InChI=1S/C15H18N2O3/c1-2-3-9-4-10-6-12(8-13(16)18)17-15(10)11(5-9)7-14(19)20/h4-6,17H,2-3,7-8H2,1H3,(H2,16,18)(H,19,20) ChemAxon InChIKey InChIKey=OMLOGGCSARAIGZ-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 96.18 ChemAxon Refractivity 75.7 ChemAxon Polarizability 29.83 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 4.6 ChemAxon pKa (strongest basic) -3.2 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 447739 PubChem Substance 99444429 ChemSpider 394751 PDB IDA BE0003768 Group IIE secretory phospholipase A2 Human # 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 Group IIE secretory phospholipase A2 Involved in calcium ion binding PA2 catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides. Has a preference for arachidonic-containing phospholipids PLA2G2E 1p36.13 Secreted None 8.28 15988.5 Human HUGO Gene Nomenclature Committee (HGNC) GNC:13414 GeneCards PLA2G2E GenBank Gene Database AF189279 GenBank Protein Database 7108923 UniProtKB Q9NZK7 UniProt Accession PA2GE_HUMAN GIIE sPLA2 Phosphatidylcholine 2-acylhydrolase GIIE sPLA(2)-IIE >Group IIE secretory phospholipase A2 MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGGSHWPVDQTDW CCHAHDCCYGRLEKLGCEPKLEKYLFSVSERGIFCAGRTTCQRLTCECDKRAALCFRRNL GTYNRKYAHYPNKLCTGPTPPC PF00068 Phospholip_A2_1 function calcium ion binding function hydrolase activity, acting on ester bonds function binding function carboxylic ester hydrolase activity function lipase activity function catalytic activity function phospholipase activity function phospholipase A2 activity function hydrolase activity function ion binding function cation binding process lipid metabolism process physiological process process metabolism process lipid catabolism process primary metabolism "

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