Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08313"

Predicate	Value (sorted: default)
rdfs:label	"nocodazole"
rdf:type	drugbank:drugs
drugbank:description	" experimental 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 Acetophenones Thiophene Carboxylic Acids and Derivatives Benzoyl Derivatives Aminoimidazoles Ketones Carbamic Acids and Derivatives Polyamines Ethers Enolates thiophene carboxylic acid or derivative benzoyl aminoimidazole benzene azole thiophene imidazole carbamic acid derivative ketone polyamine ether enolate amine carbonyl group organonitrogen compound logP 2.84 ALOGPS logS -4.2 ALOGPS Water Solubility 1.85e-02 g/l ALOGPS logP 3.17 ChemAxon IUPAC Name methyl N-{6-[(thiophen-2-yl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate ChemAxon Traditional IUPAC Name nocodazole ChemAxon Molecular Weight 301.32 ChemAxon Monoisotopic Weight 301.052111923 ChemAxon SMILES COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CS1 ChemAxon Molecular Formula C14H11N3O3S ChemAxon InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) ChemAxon InChIKey InChIKey=KYRVNWMVYQXFEU-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 84.08 ChemAxon Refractivity 78.39 ChemAxon Polarizability 30.93 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 8.34 ChemAxon pKa (strongest basic) 3.9 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChEBI 34892 PubChem Compound 4122 PubChem Substance 99444784 ChemSpider 3979 PDB NZO BE0001167 Hematopoietic prostaglandin D synthase 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 Hematopoietic prostaglandin D synthase Involved in prostaglandin-D synthase activity Catalyzes the conversion of PGH2 to PGD2, a prostaglandin involved in smooth muscle contraction/relaxation and a potent inhibitor of platelet aggregation HPGDS Cytoplasm None 5.64 23344.0 Human GenBank Gene Database D82073 GenBank Protein Database 3046817 UniProtKB O60760 UniProt Accession HPGDS_HUMAN EC 5.3.99.2 Glutathione-dependent PGD synthetase H-PGDS Hematopoietic prostaglandin D synthase Prostaglandin-H2 D-isomerase >Glutathione-requiring prostaglandin D synthase MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLT LHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELL TYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKK VQAIPAVANWIKRRPQTKL >600 bp ATGCCAAACTACAAACTCACTTATTTTAATATGAGGGGGAGAGCAGAAATTATTCGTTAC ATATTTGCTTATTTGGACATACAGTATGAAGACCACAGAATAGAACAAGCTGACTGGCCT GAAATCAAATCAACTCTCCCATTTGGAAAAATCCCCATTTTGGAAGTTGATGGACTTACT CTTCACCAGAGCCTAGCAATAGCAAGATATTTGACCAAAAACACAGATTTGGCTGGAAAC ACAGAAATGGAACAATGTCATGTTGATGCTATTGTGGACACTCTGGATGATTTCATGTCA TGTTTTCCTTGGGCAGAGAAAAAGCAAGATGTGAAAGAGCAGATGTTCAATGAGCTGCTC ACGTATAATGCGCCTCATCTTATGCAAGACTTGGACACATATTTAGGGGGGAGAGAATGG CTTATTGGTAACTCTGTAACTTGGGCAGACTTCTACTGGGAGATTTGCAGTACCACACTT TTGGTCTTTAAGCCTGACCTGTTAGACAACCATCCAAGGCTGGTGACTTTACGGAAGAAA GTCCAAGCCATTCCTGCCGTCGCTAACTGGATAAAACGAAGGCCCCAAACCAAACTCTAG PF00043 GST_C PF02798 GST_N "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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