Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04297"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.
Acetophenones
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Acetophenones
Benzoyl Derivatives
Enones
Hydroxamic Acids
Tertiary Amines
Enolates
Polyamines
benzoyl
enone
tertiary amine
hydroxamic acid
carboxamide group
ketone
polyamine
carboxylic acid derivative
enolate
amine
carbonyl group
organonitrogen compound
Antifungal Agents
logP
2.36
ALOGPS
logS
-3.9
ALOGPS
Water Solubility
4.25e-02 g/l
ALOGPS
logP
2.41
ChemAxon
IUPAC Name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
ChemAxon
Traditional IUPAC Name
trichostatin
ChemAxon
Molecular Weight
302.3682
ChemAxon
Monoisotopic Weight
302.16304258
ChemAxon
SMILES
ONC(=O)\C=C\C(\C)=C\[C@](C)([H])C(=O)C1=CC=C(N(C)C)C=C1
ChemAxon
Molecular Formula
C17H22N2O3
ChemAxon
InChI
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
ChemAxon
InChIKey
InChIKey=RTKIYFITIVXBLE-QEQCGCAPSA-N
ChemAxon
Polar Surface Area (PSA)
69.64
ChemAxon
Refractivity
90.24
ChemAxon
Polarizability
33.37
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.57
ChemAxon
pKa (strongest basic)
3.36
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
444732
PubChem Substance
46506659
ChemSpider
392575
BindingDB
19130
PDB
TSN
BE0001608
Histone deacetylase 8
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
Histone deacetylase 8
Chromatin structure and dynamics
Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes
HDAC8
Xq13
Nucleus. Note=Excluded from the nucleoli
None
5.37
41758.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:13315
GenAtlas
HDAC8
GeneCards
HDAC8
GenBank Gene Database
AF230097
GenBank Protein Database
8118721
UniProtKB
Q9BY41
UniProt Accession
HDAC8_HUMAN
HD8
>Histone deacetylase 8
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPK
VASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATI
TAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLH
HGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKY
YQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLI
LGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPH
RIQQILNYIKGNLKHVV
>1134 bp
ATGGAGGAGCCGGAGGAACCGGCGGACAGTGGGCAGTCGCTGGTCCCGGTTTATATCTAT
AGTCCCGAGTATGTCAGTATGTGTGACTCCCTGGCCAAGATCCCCAAACGGGCCAGTATG
GTGCATTCTTTGATTGAAGCATATGCACTGCATAAGCAAATGAGGATAGTTAAGCCTAAA
GTGGCCTCCATGGAGGAGATGGCCACCTTCCACACTGATGCTTATCTGCAGCATCTCCAG
AAGGTCAGCCAAGAGGGCGATGATGATCATCCGGACTCCATAGAATATGGGCTAGGTTAT
GACTGCCCAGCCACTGAAGGGATATTTGACTATGCAGCAGCTATAGGAGGGGCTACGATC
ACAGCTGCCCAATGCCTGATTGACGGAATGTGCAAAGTAGCAATTAACTGGTCTGGAGGG
TGGCATCATGCAAAGAAAGATGAAGCATCTGGTTTTTGTTATCTCAATGATGCTGTCCTG
GGAATATTACGATTGCGACGGAAATTTGAGCGTATTCTCTACGTGGATTTGGATCTGCAC
CATGGAGATGGTGTAGAAGACGCATTCAGTTTCACCTCCAAAGTCATGACCGTGTCCCTG
CACAAATTCTCCCCAGGATTTTTCCCAGGAACAGGTGACGTGTCTGATGTTGGCCTAGGG
AAGGGACGGTACTACAGTGTAAATGTGCCCATTCAGGATGGCATACAAGATGAAAAATAT
TACCAGATCTGTGAAAGTGTACTAAAGGAAGTATACCAAGCCTTTAATCCCAAAGCAGTG
GTCTTACAGCTGGGAGCTGACACAATAGCTGGGGATCCCATGTGCTCCTTTAACATGACT
CCAGTGGGAATTGGCAAGTGTCTTAAGTACATCCTTCAATGGCAGTTGGCAACACTCATT
TTGGGAGGAGGAGGCTATAACCTTGCCAACACGGCTCGATGCTGGACATACTTGACCGGG
GTCATCCTAGGGAAAACACTATCCTCTGAGATCCCAGATCATGAGTTTTTCACAGCATAT
GGTCCTGATTATGTGCTGGAAATCACGCCAAGCTGCCGGCCAGACCGCAATGAGCCCCAC
CGAATCCAACAAATCCTCAACTACATCAAAGGGAATCTGAAGCATGTGGTCTAG
PF00850
Hist_deacetyl
component
organelle
component
membrane-bound organelle
component
intracellular membrane-bound organelle
component
nucleus
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
function
catalytic activity
function
hydrolase activity
function
histone deacetylase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
process
histone deacetylation
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein modification
process
physiological process
process
metabolism
process
protein amino acid deacetylation
BE0002796
Acetoin utilization protein
Aquifex aeolicus (strain VF5)
# 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
Acetoin utilization protein
Involved in histone deacetylase activity
acuC1
Cytoplasmic
None
5.53
42663.0
Aquifex aeolicus (strain VF5)
GenBank Gene Database
AE000657
UniProtKB
O67135
UniProt Accession
O67135_AQUAE
>Acetoin utilization protein
MKKVKLIGTLDYGKYRYPKNHPLKIPRVSLLLRFLDAMNLIDEKELIKSRPATKEELLLF
HTEDYINTLMEAERCQCVPKGAREKYNIGGYENPVSYAMFTGSSLATGSTVQAIEEFLKG
NVAFNPAGGMHHAFKSRANGFCYINDPAVGIEYLRKKGFKRILYIDLDAHHCDGVQEAFY
DTDQVFVLSLHQSPEYAFPFEKGFLEEIGEGKGKGYNLNIPLPKGLNDNEFLFALEKSLE
IVKEVFEPEVYLLQLGTDPLLEDYLSKFNLSNVAFLKAFNIVREVFGEGVYLGGGGYHPY
ALARAWTLIWCELSGREVPEKLNNKAKELLKSIDFEEFDDEVDRSYMLETLKDPWRGGEV
RKEVKDTLEKAKASS
>1128 bp
TTAAGATGAGGCTTTCGCCTTTTCAAGCGTATCCTTTACTTCTTTCCTTACCTCTCCTCC
TCTCCAGGGGTCCTTTAGGGTTTCGAGCATGTACGAGCGGTCCACCTCGTCGTCAAACTC
TTCAAAGTCTATACTCTTTAAAAGCTCTTTTGCTTTATTGTTTAGCTTTTCCGGCACTTC
CCTTCCCGAAAGCTCGCACCAGATTAGGGTCCATGCCCTTGCGAGGGCGTAAGGATGGTA
TCCGCCTCCTCCGAGGTATACTCCCTCCCCGAAAACCTCACGAACGATGTTGAAAGCTTT
TAAAAAGGCAACGTTTGAGAGGTTGAACTTGGAAAGGTAATCTTCAAGGAGTGGGTCAGT
TCCGAGTTGAAGAAGGTAAACCTCGGGCTCAAATACTTCTTTGACTATTTCCAGAGATTT
TTCTAGGGCAAAGAGGAACTCGTTGTCGTTCAAGCCCTTTGGCAGGGGAATGTTCAGGTT
GTAGCCCTTTCCTTTTCCTTCTCCTATCTCCTCCAGGAAGCCCTTCTCAAAGGGAAAGGC
GTACTCGGGCGACTGGTGAAGGGACAGGACGAACACCTGGTCTGTATCGTAAAAGGCTTC
CTGAACACCGTCGCAGTGGTGGGCATCAAGGTCTATGTAGAGTATTCTCTTAAAGCCTTT
TTTTCTCAAGTACTCAATTCCCACAGCGGGGTCGTTTATGTAGCAAAAGCCGTTTGCCCT
GCTTTTAAAAGCGTGGTGCATACCTCCCGCGGGATTGAAAGCTACATTTCCCTTTAAAAA
TTCCTCTATCGCCTGCACTGTTGAACCCGTTGCGAGAGAAGAGCCTGTAAACATCGCGTA
AGATACGGGGTTTTCGTATCCGCCTATGTTGTACTTTTCCCTAGCTCCCTTCGGAACGCA
CTGACACCTTTCCGCTTCCATTAAAGTGTTTATGTAGTCTTCCGTGTGGAATAAAAGGAG
TTCTTCTTTAGTTGCGGGTCTGCTCTTGATTAATTCCTTCTCATCTATAAGGTTCATGGC
ATCTAAAAACCTAAGGAGTAGGGAAACTCTTGGTATTTTAAGAGGATGGTTTTTGGGATA
TCTGTACTTTCCGTAGTCTAAAGTTCCGATAAGTTTAACCTTCTTCAT
PF00850
Hist_deacetyl
component
nucleus
component
organelle
component
membrane-bound organelle
component
intracellular membrane-bound organelle
function
hydrolase activity
function
histone deacetylase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
function
catalytic activity
process
metabolism
process
protein amino acid deacetylation
process
histone deacetylation
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein modification
process
physiological process
BE0003525
Histone deacetylase 7
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
Histone deacetylase 7
Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Involved in muscle maturation by repressing transcription of myocyte enhancer factors such as MEF2A, MEF2B and MEF2C. During muscle differentiation, it shuttles into the cytoplasm, allowing the expression of myocyte enhancer factors (By similarity). May be involved in Epstein-Barr virus (EBV) latency, possibly by repressing the viral BZLF1 gene
HDAC7
Nucleus. Cytoplasm
None
7.6
102928.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:14067
GenAtlas
HDAC7
GenBank Gene Database
BC020505
UniProtKB
Q8WUI4
UniProt Accession
HDAC7_HUMAN
HD7a
>Histone deacetylase 7a
MDLRVGQRPPVEPPPEPTLLALQRPQRLHHHLFLAGLQQQRSVEPMRLSMDTPMPELQVG
PQEQELRQLLHKDKSKRSAVASSVVKQKLAEVILKKQQAALERTVHPNSPGIPYRTLEPL
ETEGATRSMLSSFLPPVPSLPSDPPEHFPLRKTVSEPNLKLRYKPKKSLERRKNPLLRKE
SAPPSLRRRPAETLGDSSPSSSSTPASGCSSPNDSEHGPNPILGSEALLGQRLRLQETSV
APFALPTVSLLPAITLGLPAPARADSDRRTHPTLGPRGPILGSPHTPLFLPHGLEPEAGG
TLPSRLQPILLLDPSGSHAPLLTVPGLGPLPFHFAQSLMTTERLSGSGLHWPLSRTRSEP
LPPSATAPPPPGPMQPRLEQLKTHVQVIKRSAKPSEKPRLRQIPSAEDLETDGGGPGQVV
DDGLEHRELGHGQPEARGPAPLQQHPQVLLWEQQRLAGRLPRGSTGDTVLLPLAQGGHRP
LSRAQSSPAAPASLSAPEPASQARVLSSSETPARTLPFTTGLIYDSVMLKHQCSCGDNSR
HPEHAGRIQSIWSRLQERGLRSQCECLRGRKASLEELQSVHSERHVLLYGTNPLSRLKLD
NGKLAGLLAQRMFVMLPCGGVGVDTDTIWNELHSSNAARWAAGSVTDLAFKVASRELKNG
FAVVRPPGHHADHSTAMGFCFFNSVAIACRQLQQQSKASKILIVDWDVHHGNGTQQTFYQ
DPSVLYISLHRHDDGNFFPGSGAVDEVGAGSGEGFNVNVAWAGGLDPPMGDPEYLAAFRI
VVMPIAREFSPDLVLVSAGFDAAEGHPAPLGGYHVSAKCFGYMTQQLMNLAGGAVVLALE
GGHDLTAICDASEACVAALLGNRVDPLSEEGWKQKPNLNAIRSLEAVIRVHSKYWGCMQR
LASCPDSWVPRVPGADKEEVEAVTALASLSVGILAEDRPSEQLVEEEEPMNL
PF00850
Hist_deacetyl
"
|
| ns1:drugCategory | |
| owl:sameAs | |
| rdfs:label |
"7-[4-(Dimethylamino)Phenyl]-N-Hydroxy-4,6-Dimethyl-7-Oxo-2,4-Heptadienamide"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object