Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07379"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
Purines and Purine Derivatives
Organic Compounds
Heterocyclic Compounds
Imidazopyrimidines
Purines and Purine Derivatives
Chlorobenzenes
Anilines
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Aryl Chlorides
N-substituted Imidazoles
1,2-Aminoalcohols
Secondary Amines
Primary Alcohols
Polyamines
Organochlorides
chlorobenzene
aminopyrimidine
aniline
aryl chloride
primary aromatic amine
aryl halide
pyrimidine
n-substituted imidazole
benzene
imidazole
azole
1,2-aminoalcohol
primary alcohol
secondary amine
polyamine
amine
organochloride
primary amine
organohalogen
alcohol
organonitrogen compound
logP
3.11
ALOGPS
logS
-3.7
ALOGPS
Water Solubility
8.22e-02 g/l
ALOGPS
logP
3.28
ChemAxon
IUPAC Name
(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
ChemAxon
Traditional IUPAC Name
(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropylpurin-2-yl}amino)-3-methylbutan-1-ol
ChemAxon
Molecular Weight
403.909
ChemAxon
Monoisotopic Weight
403.188736196
ChemAxon
SMILES
[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C
ChemAxon
Molecular Formula
C19H26ClN7O
ChemAxon
InChI
InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1
ChemAxon
InChIKey
InChIKey=RAMROQQYRRQPDL-OAHLLOKOSA-N
ChemAxon
Polar Surface Area (PSA)
113.91
ChemAxon
Refractivity
113.8
ChemAxon
Polarizability
43.58
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
13.99
ChemAxon
pKa (strongest basic)
4.47
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
6914609
PubChem Substance
99443850
ChemSpider
5290490
PDB
AP9
BE0002212
Cyclin-dependent kinase 6
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
Cyclin-dependent kinase 6
Probably involved in the control of the cell cycle. Interacts with D-type G1 cyclins
CDK6
7q21-q22
None
6.43
36939.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1777
GenAtlas
CDK6
GeneCards
CDK6
GenBank Gene Database
X66365
GenBank Protein Database
36623
UniProtKB
Q00534
UniProt Accession
CDK6_HUMAN
EC 2.7.11.22
Serine/threonine- protein kinase PLSTIRE
>Cell division protein kinase 6
MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIR
EVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQDLTTYLDKVPEPGVPTE
TIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQMALTSVV
VTLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGE
EDWPRDVALPRQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYF
QDLERCKENLDSHLPPSQNTSELNTA
>981 bp
ATGGAGAAGGACGGCCTGTGCCGCGCTGACCAGCAGTACGAATGCGTGGCGGAGATCGGG
GAGGGCGCCTATGGGAAGGTGTTCAAGGCCCGCGACTTGAAGAACGGAGGCCGTTTCGTG
GCGTTGAAGCGCGTGCGGGTGCAGACCGGCGAGGAGGGCATGCCGCTCTCCACCATCCGC
GAGGTGGCGGTGCTGAGGCACCTGGAGACCTTCGAGCACCCCAACGTGGTCAGGTTGTTT
GATGTGTGCACAGTGTCACGAACAGACAGAGAAACCAAACTAACTTTAGTGTTTGAACAT
GTCGATCAAGACTTGACCACTTACTTGGATAAAGTTCCAGAGCCTGGAGTGCCCACTGAA
ACCATAAAGGATATGATGTTTCAGCTTCTCCGAGGTCTGGACTTTCTTCATTCACACCGA
GTAGTGCATCGCGATCTAAAACCACAGAACATTCTGGTGACCAGCAGCGGACAAATAAAA
CTCGCTGACTTCGGCCTTGCCCGCATCTATAGTTTCCAGATGGCTCTAACCTCAGTGGTC
GTCACGCTGTGGTACAGAGCACCCGAAGTCTTGCTCCAGTCCAGCTACGCCACCCCCGTG
GATCTCTGGAGTGTTGGCTGCATATTTGCAGAAATGTTTCGTAGAAAGCCTCTTTTTCGT
GGAAGTTCAGATGTTGATCAACTAGGAAAAATCTTGGACGTGATTGGACTCCCAGGAGAA
GAAGACTGGCCTAGAGATGTTGCCCTTCCCAGGCAGGCTTTTCATTCAAAATCTGCCCAA
CCAATTGAGAAGTTTGTAACAGATATCGATGAACTAGGCAAAGACCTACTTCTGAAGTGT
TTGACATTTAACCCAGCCAAAAGAATATCTGCCTACAGTGCCCTGTCTCACCCATACTTC
CAGGACCTGGAAAGGTGCAAAGAAAACCTGGATTCCCACCTGCCGCCCAGCCAGAACACC
TCGGAGCTGAATACAGCCTGA
PF00069
Pkinase
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
BE0003838
Cyclin homolog
SaHV-2
# 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
Cyclin homolog
Involved in cell cycle
May be highly relevant to the process of cellular transformation and rapid T-cell proliferation effected by HVS during latent infections of T-cells in susceptible hosts
72
None
5.15
28637.1
SaHV-2
GeneCards
72
GenBank Gene Database
S76368
GenBank Protein Database
243355
UniProtKB
Q01043
UniProt Accession
CGH2_SHV21
V-cyclin
>Cyclin homolog
MADSPNRLNRAKIDSTTMKDPRVLNNLKLRELLLPKFTSLWEIQTEVTVDNRTILLTWMH
LLCESFELDKSVFPLSVSILDRYLCKKQGTKKTLQKIGAACVLIGSKIRTVKPMTVSKLT
YLSCDCFTNLELINQEKDILEALKWDTEAVLATDFLIPLCNALKIPEDLWPQLYEAASTT
ICKALIQPNIALLSPGLICAGGLLTTIETDNTNCRPWTCYLEDLSSILNFSTNTVRTVKD
QVSEAFSLYDLEIL
>966 bp
ATGGAGGTCAAGCTGGACTTCAGTAGTGAAGACTTTAGCAACTATTCTTACAATTATAGT
GGAGACATATATTATGGAGATGTAGCGCCGTGTGTAGTGAACTTTTTAATTTCAGAGAGT
GCACTAGCATTCATATATGTGTTGATGTTTTTATGCAATGCAATTGGGAATTCTCTTGTA
CTGAGGACTTTTCTAAAGTATAGAGCTCAAGCTCAAAGTTTTGACTACTTGATGATGGGA
TTTTGTCTCAACAGCTTGTTCTTAGCTGGGTATCTGCTAATGAGACTTTTGCGCATGTTT
GAAATTTTTATGAATACTGAGCTGTGTAAGCTGGAAGCTTTTTTCTTAAATCTCAGCATT
TATTGGTCTCCTTTCATATTAGTTTTTATTAGTGTCTTGCGTTGTCTGCTAATATTTTGT
GCTACTAGACTGTGGGTGAAAAAGACTCTTATTGGGCAAGTATTTCTGTGCTGTTCATTT
GTATTAGCCTGCTTTGGAGCACTTCCTCATGTGATGGTGACATCATATTATGAACCATCT
TCTTGCATAGAGGAGGATGGTGTGTTGACTGAGCAGCTACGCACAAAGCTAAACACTTTT
CACACATGGTATAGCTTTGCAGGACCCCTCTTTATTACTGTAATATGCTATAGTATGTCA
TGTTATAAGTTATTCAAGACAAAGCTGTCTAAAAGAGCAGAGGTAGTCACGATAATTACA
ATGACAACACTGCTATTCATAGTGTTTTGTATACCATACTATATTATGGAAAGCATTGAT
ACTTTGTTGCGTGTTGGTGTAATAGAAGAGACATGTGCAAAGAGATCTGCTATAGTGTAT
GGAATTCAATGTACATATATGCTGTTGGTACTATATTATTGTATGTTACCTCTGATGTTT
GCTATGTTTGGAAGTCTCTTTAGGCAGCGCATGGCTGCATGGTGTAAAACTATTTGTCAC
TGTTAG
PF00134
Cyclin_N
PF09241
Herp-Cyclin
process
regulation of biological process
process
regulation of physiological process
process
regulation of cellular physiological process
process
regulation of cell cycle
process
regulation of progression through cell cycle
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object