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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1089962
CHEMBL1089962
Compound Name FRUCTOSE 1,6-DIPHOSPHATE
ChEMBL Synonyms Fructose-1,6-Diphosphate | FRUCTOSE 1,6-DIPHOSPHATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6H14O12P2

Additional synonyms for CHEMBL1089962 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1[C@H](O)[C@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O
Standard InChI InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-1 ...
Download InChI
Standard InChI Key RNBGYGVWRKECFJ-ZXXMMSQZSA-N

Sources

  • Manually Added Drugs
  • Scientific Literature
  • TP-search Transporter Database
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1089962

Molecule Features

CHEMBL1089962 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov FRUCTOSE 1,6-DIPHOSPHATE
The Cochrane Collaboration FRUCTOSE 1,6-DIPHOSPHATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1089962. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.998
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.994
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.994
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.993
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.988
CHEMBL3691 Autotaxin Homo sapiens 0.972
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.874
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.575
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.383
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.322
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.273
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.203



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 1.000
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.999
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.998
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.997
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.961
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.958
CHEMBL3691 Autotaxin Homo sapiens 0.950
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.943
CHEMBL2361 Thymidylate kinase Mycobacterium tuberculosis 0.919
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.894
CHEMBL2883 Thymidine kinase, cytosolic Homo sapiens 0.860
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.843
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.798
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.783

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
340.1 339.996 -2.71 6 223.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 7 2 12 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 - -6.25 -12.32 0 20 0.25

Structural Alerts

There are 6 structural alerts for CHEMBL1089962. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01E - OTHER CARDIAC PREPARATIONS
C01EB - Other cardiac preparations
C01EB07 - fructose 1,6-diphosphate

ChemSpider ChemSpider:RNBGYGVWRKECFJ-ZXXMMSQZSA-N
Wikipedia Fructose_1,6-bisphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1089962



BindingDB 50420197
Brenda 92373
ChEBI 40595
Human Metabolome Database HMDB0001058
IBM Patent System BC22CAFA9B8E736F4209DD65DA7AF317
Metabolights MTBLC40595
Nikkaji J792.775D
PDBe AFP
PubChem 445557
SureChEMBL SCHEMBL166666
ZINC ZINC000003869916

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RNBGYGVWRKECFJ-ZXXMMSQZSA-N spacer
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