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targets (11)
for drugs
Identification
Name Adenosine-5-Diphosphoribose
Accession Number DB02059 (EXPT00544)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
ADPR
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number Not Available
Weight Average: 559.3157
Monoisotopic: 559.071673493
Chemical Formula C15H23N5O14P2
InChI Key InChIKey=SRNWOUGRCWSEMX-ZQSHOCFMSA-N
InChI
InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Plain Text
IUPAC Name
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid
SMILES
NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 3.61e+00 g/l ALOGPS
logP -1.8 ALOGPS
logP -6.7 ChemAxon
logS -2.2 ALOGPS
pKa (strongest acidic) 1.86 ChemAxon
pKa (strongest basic) 5 ChemAxon
physiological charge -2 ChemAxon
hydrogen acceptor count 15 ChemAxon
hydrogen donor count 8 ChemAxon
polar surface area 291.52 ChemAxon
rotatable bond count 9 ChemAxon
refractivity 111.12 ChemAxon
polarizability 46.29 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 447048 Link_out
PubChem Substance 46508870 Link_out
ChemSpider 187 Link_out
HET APR Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. CDP-glucose 4,6-dehydratase

Pharmacological action: unknown

CDP-glucose = CDP-4-dehydro-6-deoxy-D-glucose + H(2)O

Organism class: bacterial
UniProt ID: P26397 Link_out
Gene: rfbG
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

2. Elongation factor 2

Pharmacological action: unknown

This protein promotes the GTP-dependent translocation of the nascent protein chain from the A-site to the P-site of the ribosome

Organism class: human
UniProt ID: P13639 Link_out
Gene: EEF2 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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
  3. 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

3. Glyceraldehyde-3-phosphate dehydrogenase

Pharmacological action: unknown
Organism class: human
UniProt ID: P04406 Link_out
Gene: GAPDH Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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
  3. 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

4. Lactaldehyde reductase

Pharmacological action: unknown

(R)[or (S)]-propane-1,2-diol + NAD(+) = (R)[or (S)]-lactaldehyde + NADH

Organism class: bacterial
UniProt ID: P0A9S1 Link_out
Gene: fucO
Protein Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

5. NAD-dependent deacetylase sirtuin-5

Pharmacological action: unknown

Probable NAD-dependent deacetylase (By similarity)

Organism class: human
UniProt ID: Q9NXA8 Link_out
Gene: SIRT5
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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
  3. 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

6. P-hydroxybenzoate hydroxylase

Pharmacological action: unknown

4-hydroxybenzoate + NADPH + O(2) = protocatechuate + NADP(+) + H(2)O

Organism class: bacterial
UniProt ID: P00438 Link_out
Gene: pobA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

7. ADP-ribose pyrophosphatase

Pharmacological action: unknown

Acts on ADP-mannose and ADP-glucose as well as ADP- ribose. Prevents glycogen biosynthesis. The reaction catalyzed by this enzyme is a limiting step of the gluconeogenic process

Organism class: bacterial
UniProt ID: P83844 Link_out
Gene: nudF
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

8. Hypothetical protein

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: O33199 Link_out
Gene: MT1739
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

9. ADP compounds hydrolase nudE

Pharmacological action: unknown

Active on adenosine(5')triphospho(5')adenosine (Ap3A), ADP-ribose, NADH, adenosine(5')diphospho(5')adenosine (Ap2A)

Organism class: bacterial
UniProt ID: P45799 Link_out
Gene: nudE
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

10. ADP-ribose pyrophosphatase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q84CU3 Link_out
Gene: ndx4
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

11. NAD-dependent deacetylase sirtuin-3, mitochondrial

Pharmacological action: unknown
Organism class: human
UniProt ID: Q9NTG7 Link_out
Gene: SIRT3
SNPs: SNPJam Report Link_out

References:
  1. 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
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20