Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02555"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"SP4160"
|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.
N-acyl-alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Alpha Amino Acid Amides
Phenylpyrazoles
Anilides
N-Acylpiperidines
Benzylethers
Dichlorobenzenes
Phenol Ethers
Alkyl Aryl Ethers
Aryl Chlorides
Tertiary Carboxylic Acid Amides
Guanidines
Tertiary Amines
Secondary Carboxylic Acid Amides
Polyamines
Enolates
Carboxylic Acids
Amidines
Organochlorides
phenylpyrazole
acetanilide
n-acyl-piperidine
benzylether
1,2-dichlorobenzene
phenol ether
chlorobenzene
alkyl aryl ether
benzene
aryl halide
aryl chloride
piperidine
azole
pyrazole
tertiary carboxylic acid amide
guanidine
secondary carboxylic acid amide
carboxamide group
tertiary amine
amidine
ether
enolate
carboxylic acid
polyamine
organochloride
organonitrogen compound
amine
organohalogen
logP
4.72
ALOGPS
logS
-5
ALOGPS
Water Solubility
6.16e-03 g/l
ALOGPS
logP
3.41
ChemAxon
IUPAC Name
(2R)-2-[(diaminomethylidene)amino]-N-{2-[4-(3-{2,3-dichloro-4-[(4-acetamidophenyl)methoxy]phenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-4-methylpentanamide
ChemAxon
Traditional IUPAC Name
(2R)-2-[(diaminomethylidene)amino]-N-{2-[4-(5-{2,3-dichloro-4-[(4-acetamidophenyl)methoxy]phenyl}-2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl}-4-methylpentanamide
ChemAxon
Molecular Weight
685.644
ChemAxon
Monoisotopic Weight
684.270607286
ChemAxon
SMILES
CC(C)C[C@@H](N=C(N)N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=C(Cl)C(Cl)=C(OCC2=CC=C(NC(C)=O)C=C2)C=C1
ChemAxon
Molecular Formula
C33H42Cl2N8O4
ChemAxon
InChI
InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1
ChemAxon
InChIKey
InChIKey=VCXMTWSYQSVWRK-AREMUKBSSA-N
ChemAxon
Polar Surface Area (PSA)
169.96
ChemAxon
Refractivity
194.97
ChemAxon
Polarizability
72.99
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.8
ChemAxon
pKa (strongest basic)
10.6
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
656989
PubChem Substance
46506770
ChemSpider
10645713
PDB
FRI
BE0001029
Interleukin-2
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
Interleukin-2
Involved in interleukin-2 receptor binding
Produced by T-cells in response to antigenic or mitogenic stimulation, this protein is required for T-cell proliferation and other activities crucial to regulation of the immune response. Can stimulate B-cells, monocytes, lymphokine- activated killer cells, natural killer cells, and glioma cells
IL2
4q26-q27
Secreted protein
None
7.95
17628.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6001
GenAtlas
IL2
GeneCards
IL2
GenBank Gene Database
J00264
GenBank Protein Database
5729676
UniProtKB
P60568
UniProt Accession
IL2_HUMAN
Aldesleukin
IL-2
Interleukin-2 precursor
T-cell growth factor
TCGF
>Interleukin-2 precursor
MYRMQLLSCIALSLALVTNSAPTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRML
TFKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSE
TTFMCEYADETATIVEFLNRWITFCQSIISTLT
>462 bp
ATGTACAGGATGCAACTCCTGTCTTGCATTGCACTAAGTCTTGCACTTGTCACAAACAGT
GCACCTACTTCAAGTTCTACAAAGAAAACACAGCTACAACTGGAGCATTTACTGCTGGAT
TTACAGATGATTTTGAATGGAATTAATAATTACAAGAATCCCAAACTCACCAGGATGCTC
ACATTTAAGTTTTACATGCCCAAGAAGGCCACAGAACTGAAACATCTTCAGTGTCTAGAA
GAAGAACTCAAACCTCTGGAGGAAGTGCTAAATTTAGCTCAAAGCAAAAACTTTCACTTA
AGACCCAGGGACTTAATCAGCAATATCAACGTAATAGTTCTGGAACTAAAGGGATCTGAA
ACAACATTCATGTGTGAATATGCTGATGAGACAGCAACCATTGTAGAATTTCTGAACAGA
TGGATTACCTTTTGTCAAAGCATCATCTCAACACTGACTTGA
PF00715
IL2
component
extracellular region
function
growth factor activity
function
receptor binding
function
cytokine activity
function
hematopoietin/interferon-class (D200-domain) cytokine receptor binding
function
interleukin-2 receptor binding
function
signal transducer activity
process
response to stimulus
process
response to biotic stimulus
process
defense response
process
immune response
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object