Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02468"

PredicateValue (sorted: default)
rdfs:label
"12-Phenylheme"
rdf:type
drugbank:description
" experimental This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom. Metallotetrapyrroles Organic Compounds Heterocyclic Compounds Tetrapyrroles and Derivatives Metallotetrapyrroles Substituted Pyrroles Dicarboxylic Acids and Derivatives Benzene and Substituted Derivatives Pyrrolines Polyols Enolates Polyamines Carboxylic Acids Metalloheterocyclic Compounds benzene substituted pyrrole dicarboxylic acid derivative pyrroline pyrrole polyol carboxylic acid derivative polyamine enolate carboxylic acid organonitrogen compound logP 0.65 ALOGPS logS -6.1 ALOGPS Water Solubility 5.68e-04 g/l ALOGPS logP 2.34 ChemAxon IUPAC Name (14S,15S)-5,9-bis(2-carboxyethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-17-phenyl-2$l^{5},22,23$l^{5},25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,16(23),17,19,21(24)-decaene-2,23-bis(ylium) ChemAxon Traditional IUPAC Name 12-phenylheme ChemAxon Molecular Weight 694.599 ChemAxon Monoisotopic Weight 694.224247857 ChemAxon SMILES C[C@H]1[C@H](C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5C(CCC(O)=O)=C(C)C6=[N+]5[Fe]5(N34)N3C(=C6)C(C)=C(C=C)C3=C(C1=[N+]25)C1=CC=CC=C1 ChemAxon Molecular Formula C40H38FeN4O4 ChemAxon InChI InChI=1S/C40H40N4O4.Fe/c1-7-26-24(6)39-38(25-12-10-9-11-13-25)40-27(8-2)21(3)32(43-40)18-30-22(4)28(14-16-36(45)46)34(41-30)20-35-29(15-17-37(47)48)23(5)31(42-35)19-33(26)44-39;/h7-13,18-20,24,26H,1-2,14-17H2,3-6H3,(H4,41,42,43,44,45,46,47,48);/q;+4/p-2/t24-,26-;/m0./s1 ChemAxon InChIKey InChIKey=QYZKGXFDXHPSJI-YLQNXEDKSA-L ChemAxon Polar Surface Area (PSA) 92.22 ChemAxon Refractivity 194.38 ChemAxon Polarizability 77.28 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.19 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 9 ChemAxon Bioavailability 1 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936394 PubChem Substance 46505538 ChemSpider 22376147 PDB 1FH BE0000735 Heme oxygenase 1 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 unknown Heme oxygenase 1 Involved in heme oxygenase (decyclizing) activity Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed HMOX1 22q12|22q13.1 Microsome 265-287 8.68 32819.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:5013 GenAtlas HMOX1 GeneCards HMOX1 GenBank Gene Database X06985 GenBank Protein Database 35173 UniProtKB P09601 UniProt Accession HMOX1_HUMAN EC 1.14.99.3 HO-1 >Heme oxygenase 1 MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVA LEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHE VGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQ LYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRA SNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM >867 bp ATGGAGCGTCCGCAACCCGACAGCATGCCCCAGGATTTGTCAGAGGCCCTGAAGGAGGCC ACCAAGGAGGTGCACACCCAGGCAGAGAATGCTGAGTTCATGAGGAACTTTCAGAAGGGC CAGGTGACCCGAGACGGCTTCAAGCTGGTGATGGCCTCCCTGTACCACATCTATGTGGCC CTGGAGGAGGAGATTGAGCGCAACAAGGAGAGCCCAGTCTTCGCCCCTGTCTACTTCCCA GAAGAGCTGCACCGCAAGGCTGCCCTGGAGCAGGACCTGGCCTTCTGGTACGGGCCCCGC TGGCAGGAGGTCATCCCCTACACACCAGCCATGCAGCGCTATGTGAAGCGGCTCCACGAG GTGGGGCGCACAGAGCCCGAGCTGCTGGTGGCCCACGCCTACACCCGCTACCTGGGTGAC CTGTCTGGGGGCCAGGTGCTCAAAAAGATTGCCCAGAAAGCCCTGGACCTGCCCAGCTCT GGCGAGGGCCTGGCCTTCTTCACCTTCCCCAACATTGCCAGTGCCACCAAGTTCAAGCAG CTCTACCGCTCCCGCATGAACTCCCTGGAGATGACTCCCGCAGTCAGGCAGAGGGTGATA GAAGAGGCCAAGACTGCGTTCCTGCTCAACATCCAGCTCTTTGAGGAGTTGCAGGAGCTG CTGACCCATGACACCAAGGACCAGAGCCCCTCACGGGCACCAGGGCTTCGCCAGCGGGCC AGCAACAAAGTGCAAGATTCTGCCCCCGTGGAGACTCCCAGAGGGAAGCCCCCACTCAAC ACCCGCTCCCAGGCTCCGCTTCTCCGATGGGTCCTTACACTCAGCTTTCTGGTGGCGACA GTTGCTGTAGGGCTTTATGCCATGTGA PF01126 Heme_oxygenase function oxidoreductase activity function oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen function heme oxygenase (decyclizing) activity function catalytic activity process metabolism process cellular metabolism process heterocycle metabolism process porphyrin metabolism process heme metabolism process heme oxidation process physiological process "
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