Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03903"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tmr"
|
| rdf:type | |
| ns1:description |
"
experimental
Cherng-Chyi Han, Rodney Lee, "Method to make small isolated features with pseudo-planarization for TMR and MRAM applications." U.S. Patent US20050112902, issued May 26, 2005.
This compound belongs to the neoflavenes. These are neoflavonoids whose structure is based on a 4-phenylchromene skeleton.
Neoflavenes
Organic Compounds
Phenylpropanoids and Polyketides
Neoflavonoids
Neoflavenes
Xanthenes
Phenylpyrrolines
Aminobenzoic Acid Derivatives
Benzoic Acids
Benzoyl Derivatives
Alkyl Aryl Ethers
N-substituted Carboxylic Acid Imides
Tertiary Carboxylic Acid Amides
Pyrroles
Tertiary Amines
Carboxylic Acids
Enamines
Enolates
Polyamines
dibenzopyran
xanthene
1-phenylpyrroline
aminobenzoate
benzopyran
benzoic acid or derivative
benzoic acid
benzoyl
alkyl aryl ether
carboxylic acid imide, n-substituted
benzene
tertiary carboxylic acid amide
pyrrole
carboxylic acid imide
pyrroline
carboxamide group
tertiary amine
carboxylic acid derivative
polyamine
enolate
enamine
carboxylic acid
organonitrogen compound
amine
logP
3.97
ALOGPS
logS
-4.4
ALOGPS
Water Solubility
1.99e-02 g/l
ALOGPS
logP
-0.098
ChemAxon
IUPAC Name
2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
ChemAxon
Traditional IUPAC Name
Tmr
ChemAxon
Molecular Weight
483.5152
ChemAxon
Monoisotopic Weight
483.179420925
ChemAxon
SMILES
CN(C)C1=CCC2=C(C3=CC=C(C=C3OC2=C1)N(C)C)C1=CC=C(C=C1C(O)=O)N1C(=O)C=CC1=O
ChemAxon
Molecular Formula
C28H25N3O5
ChemAxon
InChI
InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)
ChemAxon
InChIKey
InChIKey=KGFLZYXDJDOIEE-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
90.39
ChemAxon
Refractivity
150.85
ChemAxon
Polarizability
52.5
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
3.72
ChemAxon
pKa (strongest basic)
7.42
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5289288
PubChem Substance
46506730
ChemSpider
4451283
PDB
RHO
BE0002101
Actin, alpha skeletal muscle
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
Actin, alpha skeletal muscle
Cytoskeleton
Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells
ACTA1
1q42.13-q42.2
Cytoplasm
None
5.05
42052.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:129
GenAtlas
ACTA1
GeneCards
ACTA1
GenBank Gene Database
J00068
GenBank Protein Database
178029
UniProtKB
P68133
UniProt Accession
ACTS_HUMAN
Alpha-actin-1
>Actin, alpha skeletal muscle
MCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEA
QSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREK
MTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRL
DLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEK
SYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNV
MSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWIT
KQEYDEAGPSIVHRKCF
>1134 bp
ATGTGCGACGAAGACGAGACCACCGCCCTCGTGTGCGACAATGGCTCCGGCCTGGTGAAA
GCCGGCTTCGCCGGGGATGACGCCCCTAGGGCCGTGTTCCCGTCCATCGTGGGCCGCCCC
CGACACCAGGGCGTCATGGTCGGTATGGGTCAGAAAGATTCCTACGTGGGCGACGAGGCT
CAGAGCAAGAGAGGTATCCTGACCCTGAAGTACCCTATCGAGCACGGCATCATCACCAAC
TGGGATGACATGGAGAAGATCTGGCACCACACCTTCTACAACGAGCTTCGCGTGGCTCCC
GAGGAGCACCCCACCCTGCTCACCGAAGCCCCCCTCAATCCCAAGGCCAACCGCGAGAAG
ATGACCCAGATCATGTTTGAGACCTTCAACGTGCCCGCCATGTACGTGGCCATCCAGGCC
GTGCTGTCCCTCTACGCCTCCGGCAGGACCACCGGCATCGTGCTGGACTCCGGCGACGGC
GTCACCCACAACGTGCCCATTTATGAGGGCTACGCGCTGCCGCACGCCATCATGCGCCTG
GACCTGGCGGGCCGCGATCTTACCGACTACCTGATGAAGATCCTCACTGAGCGTGGCTAC
TCCTTCGTGACCACAGCTGAGCGCGAGATCGTGCGCGACATCAAGGAGAAGCTGTGCTAC
GTGGCCCTGGACTTCGAGAACGAGATGGCGACGGCCGCCTCCTCCTCCTCCCTGGAAAAG
AGCTACGAGCTGCCAGACGGGCAGGTCATCACCATCGGCAACGAGCGCTTCCGCTGCCCG
GAGACGCTCTTCCAGCCCTCCTTCATCGGTATGGAGTCGGCGGGCATTCACGAGACCACC
TACAACAGCATCATGAAGTGTGACATCGACATCAGGAAGGACCTGTATGCCAACAACGTC
ATGTCGGGGGGCACCACGATGTACCCTGGGATCGCTGACCGCATGCAGAAAGAGATCACC
GCGCTGGCACCCAGCACCATGAAGATCAAGATCATCGCCCCGCCGGAGCGCAAATACTCG
GTGTGGATCGGCGGCTCCATCCTGGCCTCGCTGTCCACCTTCCAGCAGATGTGGATCACC
AAGCAGGAGTACGACGAGGCCGGCCCTTCCATCGTCCACCGCAAATGCTTCTAG
PF00022
Actin
component
intracellular non-membrane-bound organelle
component
cytoskeleton
component
actin cytoskeleton
component
actin filament
component
organelle
component
non-membrane-bound organelle
function
motor activity
function
structural constituent of cytoskeleton
function
binding
function
protein binding
function
structural molecule activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object