Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02757"

Predicate	Value (sorted: none)
drugbank:description	" 288-13-1 experimental Norbert Rieber, Rolf Platz, Werner Fuchs, "Simultaneous preparation of pyrazole and triazoles." U.S. Patent US4380642, issued August, 1932. This compound belongs to the pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. Pyrazoles Organic Compounds Heterocyclic Compounds Azoles Pyrazoles Polyamines polyamine organonitrogen compound 1,2-Diazole Enzyme Inhibitors logP 0.03 ALOGPS logS 0.85 ALOGPS Water Solubility 4.84e+02 g/l ALOGPS logP 0.28 ChemAxon IUPAC Name 1H-pyrazole ChemAxon Traditional IUPAC Name pyrazole ChemAxon Molecular Weight 68.0773 ChemAxon Monoisotopic Weight 68.037448138 ChemAxon SMILES N1C=CC=N1 ChemAxon Molecular Formula C3H4N2 ChemAxon InChI InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) ChemAxon InChIKey InChIKey=WTKZEGDFNFYCGP-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 28.68 ChemAxon Refractivity 19.75 ChemAxon Polarizability 6.53 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 1 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 14.63 ChemAxon pKa (strongest basic) 2.17 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 1.94E+004 mg/L (at 25 Â°C) BEILSTEIN Melting Point 68 Â°C PhysProp Boiling Point 187 Â°C PhysProp logP 0.26 HANSCH,C ET AL. (1995) pKa 2.48 (at 25 Â°C) PERRIN,DD (1965) ChEBI 17241 PubChem Compound 1048 PubChem Substance 46505905 KEGG Compound C00481 PDB PZO Wikipedia Pyrazole BE0000465 Alcohol dehydrogenase 1C Human # 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 Alcohol dehydrogenase 1C Energy production and conversion ADH1C 4q21-q23 Cytoplasm None 8.38 39737.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:251 GenAtlas ADH1C GeneCards ADH1C GenBank Gene Database X04299 GenBank Protein Database 28404 UniProtKB P00326 UniProt Accession ADH1G_HUMAN Alcohol dehydrogenase gamma subunit EC 1.1.1.1 >Alcohol dehydrogenase 1C STAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSDEHVVSGNLVTP LPVILGHEAAGIVESVGEGVTTVKPGDKVIPLFTPQCGKCRICKNPESNYCLKNDLGNPR GTLQDGTRRFTCSGKPIHHFVGVSTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGY GSAVKVAKVTPGSTCAVFGLGGVGLSVVMGCKAAGAARIIAVDINKDKFAKAKELGATEC INPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQN LSINPMLLLTGRTWKGAIFGGFKSKESVPKLVADFMAKKFSLDALITNILPFEKINEGFD LLRSGKSIRTVLTF >1128 bp ATGAGCACAGCAGGAAAAGTAATCAAATGCAAAGCAGCTGTGCTATGGGAGTTAAAGAAA CCCTTTTCCATTGAGGAGGTAGAGGTTGCACCTCCTAAGGCTCATGAAGTTCGCATTAAG ATGGTGGCTGCAGGAATCTGTCGTTCAGATGAGCATGTGGTTAGTGGCAACCTGGTGACC CCCCTTCCTGTGATTTTAGGCCATGAGGCAGCCGGCATCGTGGAAAGTGTTGGAGAAGGG GTGACTACAGTCAAACCAGGTGATAAAGTCATCCCGCTCTTTACTCCTCAGTGTGGAAAA TGCAGAATTTGCAAAAACCCAGAAAGCAACTACTGCTTGAAAAATGATCTAGGCAATCCT CGGGGGACCCTGCAGGATGGCACCAGGAGGTTCACCTGCAGCGGGAAGCCCATCCACCAC TTCGTCGGCGTCAGCACCTTCTCCCAGTACACAGTGGTGGATGAGAATGCAGTAGCCAAA ATTGATGCAGCCTCGCCCCTGGAGAAAGTCTGCCTCATTGGCTGTGGATTTTCGACTGGT TATGGGTCTGCAGTCAAAGTTGCCAAGGTCACCCCAGGGTCTACCTGTGCTGTGTTTGGC CTGGGAGGGGTCGGCCTATCTGTTGTTATGGGCTGTAAAGCAGCTGGAGCAGCCAGAATC ATTGCTGTGGACATCAACAAGGACAAATTTGCAAAGGCTAAAGAGTTGGGTGCCACTGAA TGCATCAACCCTCAAGACTACAAGAAACCCATTCAGGAAGTGCTAAAGGAAATGACTGAT GGAGGTGTGGATTTTTCGTTTGAAGTCATCGGTCAGCTTGACACCATGATGGCTTCCCTG TTATGTTGTCATGAGGCATGTGGCACAAGTGTCATTGTAGGGGTACCTCCTGATTCCCAG AACCTCTCAATAAACCCTATGCTGCTACTGACTGGACGCACGTGGAAAGGAGCTATTTTT GGAGGCTTTAAGAGTAAAGAATCTGTCCCCAAACTTGTGGCTGACTTTATGGCTAAGAAG TTTTCACTGGATGCATTAATAACAAATGTTTTACCTTTTGAAAAAATAAATGAAGGATTT GACCTGCTTCGCTCTGGAAAGAGTATCCGTACCGTCCTGACGTTTTGA PF08240 ADH_N PF00107 ADH_zinc_N function oxidoreductase activity function ion binding function cation binding function transition metal ion binding function zinc ion binding function binding function catalytic activity "
rdfs:label	"Pyrazole"
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT02727
drugbank:drugCategory	drugcategory:Enzyme Inhibitors

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

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