Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07425"

Predicate	Value (sorted: default)
rdfs:label	"{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Diphenylmethanes Organic Compounds Benzenoids Benzene and Substituted Derivatives Diphenylmethanes Phenoxyacetic Acid Derivatives Cumenes Phenol Ethers Toluenes Phenols and Derivatives Alkyl Aryl Ethers Polyols Enols Polyamines Carboxylic Acids Enolates phenoxyacetate cumene phenol ether toluene alkyl aryl ether phenol derivative polyol polyamine enol ether carboxylic acid carboxylic acid derivative enolate logP 4.23 ALOGPS logS -5.1 ALOGPS Water Solubility 2.61e-03 g/l ALOGPS logP 5.35 ChemAxon IUPAC Name 2-(4-{[4-hydroxy-3-(propan-2-yl)phenyl]methyl}-3,5-dimethylphenoxy)acetic acid ChemAxon Traditional IUPAC Name 4-[(4-hydroxy-3-isopropylphenyl)methyl]-3,5-dimethylphenoxyacetic acid ChemAxon Molecular Weight 328.4022 ChemAxon Monoisotopic Weight 328.167459256 ChemAxon SMILES CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1 ChemAxon Molecular Formula C20H24O4 ChemAxon InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) ChemAxon InChIKey InChIKey=QNAZTOHXCZPOSA-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 66.76 ChemAxon Refractivity 94.6 ChemAxon Polarizability 36.6 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.93 ChemAxon pKa (strongest basic) -4.9 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Ghose Filter true ChemAxon PubChem Compound 9862248 PubChem Substance 99443896 ChemSpider 8037944 PDB B72 IUPHAR 2639 Guide to Pharmacology 2639 BE0003867 Thyroid hormone receptor, alpha isoform 1 variant 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 Thyroid hormone receptor, alpha isoform 1 variant Involved in protein heterodimerization activity Cytoplasmic None 7.97 45440.1 Human HUGO Gene Nomenclature Committee (HGNC) GNC:11796 GenBank Gene Database AB209346 GenBank Protein Database 62088272 UniProtKB Q59FW3 UniProt Accession Q59FW3_HUMAN >Thyroid hormone receptor, alpha isoform 1 variant SEWNSARSPDGKRKRKNGQCSLKTSMSGYIPSYLDKDEQCVVCGDKATGYHYRCITCEGC KGFFRRTIQKNLHPTYSCKYDSCCVIDKITRNQCQLCRFKKCIAVGMAMDLVLDDSKRVA KRKLIEQNRERRRKEEMIRSLQQRPEPTPEEWDLIHIATEAHRSTNAQGSHWKQRRKFLP DDIGQSPIVSMPDGDKVDLEAFSEFTKIITPAITRVVDFAKKLPMFSELPCEDQIILLKG CCMEIMSLRAAVRYDPESDTLTLSGEMAVKREQLKNGGLGVVSDAIFELGKSLSAFNLDD TEVALLQAVLLMSTDRSGLLCVDKIEKSQEAYLLAFEHYVNHRKHNIPHFWPKLLMKVTD LRMIGACHASRFLHMKVECPTELFPPLFLEVFEDQEV PF00104 Hormone_recep PF00105 zf-C4 component nucleus component organelle component membrane-bound organelle component intracellular membrane-bound organelle function receptor activity function nucleic acid binding function steroid hormone receptor activity function transcription factor activity function thyroid hormone receptor activity function ligand-dependent nuclear receptor activity function DNA binding function binding function signal transducer activity process regulation of transcription process regulation of transcription, DNA-dependent process regulation of biological process process regulation of physiological process process regulation of metabolism process regulation of cellular metabolism process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism BE0000315 Thyroid hormone receptor beta 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 Thyroid hormone receptor beta Involved in transcription factor activity High affinity receptor for triiodothyronine THRB 3p24.2 Nucleus None 7.11 52788.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:11799 GenAtlas THRB GeneCards THRB GenBank Gene Database X04707 GenBank Protein Database 31207 IUPHAR 589 Guide to Pharmacology 84 UniProtKB P10828 UniProt Accession THB_HUMAN >Thyroid hormone receptor beta-1 MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQ TTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYR CITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVL DDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWK QKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCED QIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSL SSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPK LLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED >1371 bp ATGACAGAAAATGGCCTTACAGCTTGGGACAAACCGAAGCACTGTCCAGACCGAGAACAC GACTGGAAGCTAGTAGGAATGTCTGAAGCCTGCCTACATAGGAAGAGCCATTCAGAGAGG CGCAGCACGTTGAAAAATGAACAGTCGTCGCCACATCTCATCCAGACCACTTGGACTAGC TCAATATTCCATCTGGACCATGATGATGTGAACGACCAGAGTGTCTCAAGTGCCCAGACC TTCCAAACGGAGGAGAAGAAATGTAAAGGGTACATCCCCAGTTACTTAGACAAGGACGAG CTCTGTGTAGTGTGTGGTGACAAAGCCACCGGGTATCACTACCGCTGTATCACGTGTGAA GGCTGCAAGGGTTTCTTTAGAAGAACCATTCAGAAAAATCTCCATCCATCCTATTCCTGT AAATATGAAGGAAAATGTGTCATAGACAAAGTCACGCGAAATCAGTGCCAGGAATGTCGC TTTAAGAAATGCATCTATGTTGGCATGGCAACAGATTTGGTGCTGGATGACAGCAAGAGG CTGGCCAAGAGGAAGCTGATAGAGGAGAACCGGGAGAAAAGACGGCGGGAAGAGCTGCAG AAGTCCATCGGGCACAAGCCAGAGCCCACAGACGAGGAATGGGAGCTCATCAAAACTGTC ACCGAAGCCCATGTGGCGACCAACGCCCAAGGCAGCCACTGGAAGCAAAAACCGAAATTT CTGCCAGAAGACATTGGACAAGCACCAATAGTCAATGCCCCAGAAGGTGGAAAGGTTGAC TTGGAAGCCTTCAGCCATTTTACAAAAATCATCACACCAGCAATTACCAGAGTGGTGGAT TTTGCCAAAAAGTTGCCTATGTTTTGTGAGCTGCCATGTGAAGACCAGATCATCCTCCTC AAAGGCTGCTGCATGGAGATCATGTCCCTTCGCGCTGCTGTGCGCTATGACCCGGAAAGT GAGACTTTAACCTTGAATGGGGAAATGGCAGTGATACGGGGCCAGCTGAAAAATGGGGGT CTTGGGGTGGTGTCAGACGCCATCTTTGACCTAGGCATGTCTCTGTCTTCTTTCAACCTG GATGACACTGAAGTAGCCCTCCTTCAGGCCGTCCTGCTGATGTCTTCAGATCGCCCGGGG CTTGCCTGTGTTGAGAGAATAGAAAAGTACCAAGATAGTTTCCTGCTGGCCTTTGAACAC TATATCAATTACCGAAAACACCACGTGACACACTTTTGGCCAAAACTCCTGATGAAGGTG ACAGATCTGCGGATGATAGGAGCCTGCCATGCCAGCCGCTTCCTGCACATGAAGGTGGAA TGCCCCACAGAACTCCTCCCCCCTTTGTTCCTGGAAGTGTTCGAGGATTAG PF00104 Hormone_recep PF00105 zf-C4 component organelle component membrane-bound organelle component intracellular membrane-bound organelle component nucleus function signal transducer activity function receptor activity function nucleic acid binding function steroid hormone receptor activity function transcription factor activity function thyroid hormone receptor activity function ligand-dependent nuclear receptor activity function DNA binding function binding process regulation of physiological process process regulation of metabolism process regulation of cellular metabolism process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process regulation of transcription process regulation of transcription, DNA-dependent process regulation of biological process "

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