Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04477"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.
Purine 2'-deoxyribonucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Tetralins
Benzamides
Purines and Purine Derivatives
Anisoles
Benzoyl Derivatives
Aminopyrimidines and Derivatives
Alkyl Aryl Ethers
N-substituted Imidazoles
Oxolanes
Tetrahydrofurans
Secondary Carboxylic Acid Amides
Secondary Alcohols
Carboxylic Acids
Secondary Amines
Enolates
Primary Alcohols
Polyamines
tetralin
purine
imidazopyrimidine
benzamide
benzoyl
anisole
phenol ether
aminopyrimidine
alkyl aryl ether
pyrimidine
benzene
n-substituted imidazole
imidazole
oxolane
tetrahydrofuran
azole
carboxamide group
secondary carboxylic acid amide
secondary alcohol
polyamine
primary alcohol
ether
enolate
carboxylic acid derivative
secondary amine
carboxylic acid
alcohol
organonitrogen compound
amine
logP
2.42
ALOGPS
logS
-4.1
ALOGPS
Water Solubility
4.44e-02 g/l
ALOGPS
logP
2.17
ChemAxon
IUPAC Name
N-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-(6-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-9H-purin-9-yl)oxolan-3-yl]-3,5-dimethoxybenzamide
ChemAxon
Traditional IUPAC Name
N-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-{6-[(1R)-1,2,3,4-tetrahydronaphthalen-1-ylamino]purin-9-yl}oxolan-3-yl]-3,5-dimethoxybenzamide
ChemAxon
Molecular Weight
560.601
ChemAxon
Monoisotopic Weight
560.238332786
ChemAxon
SMILES
COC1=CC(=CC(OC)=C1)C(=O)N[C@@H]1[C@@H](O)[C@H](CO)O[C@H]1N1C=NC2=C1N=CN=C2N[C@@H]1CCCC2=CC=CC=C12
ChemAxon
Molecular Formula
C29H32N6O6
ChemAxon
InChI
InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22+,23-,25+,29-/m1/s1
ChemAxon
InChIKey
InChIKey=FDZQGEIYGFPMOB-USBJVFBQSA-N
ChemAxon
Polar Surface Area (PSA)
152.88
ChemAxon
Refractivity
150.18
ChemAxon
Polarizability
59.01
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
13.3
ChemAxon
pKa (strongest basic)
4.83
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
6
ChemAxon
Bioavailability
1
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936983
PubChem Substance
46506101
PDB
TND
BE0000720
Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
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
Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
Carbohydrate transport and metabolism
May play an important role in regulating the switch between different pathways for energy production during spermiogenesis and in the spermatozoon. Required for sperm motility and male fertility
GAPDHS
19q13.1
Cytoplasm
None
8.34
44502.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:24864
GenAtlas
GAPDHS
GeneCards
GAPDHS
GenBank Gene Database
AJ005371
GenBank Protein Database
3046742
UniProtKB
O14556
UniProt Accession
G3PT_HUMAN
EC 1.2.1.12
GAPDH-2
Spermatogenic cell-specific glyceraldehyde 3-phosphate dehydrogenase 2
Spermatogenic glyceraldehyde-3-phosphate dehydrogenase
>Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
MSKRDIVLTNVTVVQLLRQPCPVTRAPPPPEPKAEVEPQPQPEPTPVREEIKPPPPPLPP
HPATPPPKMVSVARELTVGINGFGRIGRLVLRACMEKGVKVVAVNDPFIDPEYMVYMFKY
DSTHGRYKGSVEFRNGQLVVDNHEISVYQCKEPKQIPWRAVGSPYVVESTGVYLSIQAAS
DHISAGAQRVVISAPSPDAPMFVMGVNENDYNPGSMNIVSNASCTTNCLAPLAKVIHERF
GIVEGLMTTVHSYTATQKTVDGPSRKAWRDGRGAHQNIIPASTGAAKAVTKVIPELKGKL
TGMAFRVPTPDVSVVDLTCRLAQPAPYSAIKEAVKAAAKGPMAGILAYTEDEVVSTDFLG
DTHSSIFDAKAGIALNDNFVKLISWYDNEYGYSHRVVDLLRYMFSRDK
>1227 bp
ATGTCGAAGCGCGACATCGTCCTCACCAATGTCACCGTTGTCCAGTTGCTGCGACAGCCG
TGCCCGGTGACCAGAGCACCGCCCCCACCTGAGCCTAAGGCTGAAGTAGAGCCCCAGCCA
CAACCAGAGCCCACACCAGTCAGGGAGGAAATAAAGCCACCACCGCCACCACTGCCTCCT
CACCCCGCTACTCCTCCTCCTAAGATGGTGTCTGTGGCCCGGGAGCTGACTGTGGGCATC
AATGGATTTGGACGCATCGGTCGCCTGGTCCTGCGCGCCTGCATGGAGAAGGGTGTTAAG
GTGGTGGCTGTGAATGATCCATTCATTGACCCGGAATACATGGTGTACATGTTTAAGTAT
GACTCCACCCACGGCCGATACAAGGGAAGTGTGGAATTCAGGAATGGACAACTGGTCGTG
GACAACCATGAGATCTCTGTCTACCAGTGCAAAGAGCCCAAACAGATCCCCTGGAGGGCT
GTCGGGAGCCCCTACGTGGTGGAGTCCACAGGCGTGTACCTCTCCATACAGGCAGCTTCG
GACCACATCTCTGCAGGTGCTCAACGTGTGGTCATCTCCGCGCCCTCACCGGATGCACCA
ATGTTCGTCATGGGTGTCAATGAAAATGACTATAACCCTGGCTCCATGAACATTGTGAGC
AACGCGTCCTGCACCACCAACTGTTTGGCTCCCCTCGCCAAAGTCATCCACGAGCGATTT
GGGATCGTGGAAGGGTTGATGACCACAGTCCATTCCTACACGGCCACCCAGAAGACAGTG
GACGGGCCATCAAGGAAGGCCTGGCGAGATGGGCGGGGTGCCCACCAGAACATCATCCCA
GCCTCCACTGGGGCTGCGAAAGCTGTGACCAAAGTCATCCCAGAGCTCAAAGGGAAGCTG
ACAGGGATGGCGTTCCGGGTACCAACCCCGGATGTGTCTGTCGTGGACCTGACCTGCCGC
CTCGCCCAGCCTGCCCCCTACTCAGCCATCAAGGAGGCTGTAAAAGCAGCAGCCAAGGGG
CCCATGGCTGGCATCCTTGCCTACACCGAGGATGAGGTCGTCTCTACGGACTTCCTCGGT
GATACCCACTCGTCCATCTTCGATGCTAAGGCCGGCATTGCGCTCAATGACAATTTCGTG
AAGCTCATTTCATGGTACGACAACGAATATGGCTACAGTCACCGGGTGGTCGACCTCCTC
CGCTACATGTTCAGCCGAGACAAGTGA
PF02800
Gp_dh_C
PF00044
Gp_dh_N
function
glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) activity
function
binding
function
catalytic activity
function
NAD binding
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors
function
oxidoreductase activity
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
function
cofactor binding
function
glyceraldehyde-3-phosphate dehydrogenase activity
function
coenzyme binding
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
glucose metabolism
process
physiological process
process
glucose catabolism
process
glycolysis
process
metabolism
process
cellular metabolism
"
|
| rdf:type | |
| rdfs:label |
"N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object