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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 0
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

  • 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:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ATC

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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.993
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.990
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.962
CHEMBL3691 Autotaxin Homo sapiens 0.814
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.790
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.458
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.266
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.260
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.245



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 0.999
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.996
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.962
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.922
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.871
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.862
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.848
CHEMBL2883 Thymidine kinase, cytosolic Homo sapiens 0.801
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.772
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.674
CHEMBL3106 Thymidine phosphorylase Homo sapiens 0.662
CHEMBL3691 Autotaxin Homo sapiens 0.623
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.584
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.491

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
340.1 339.996 -2.99 6 203.44 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 7 1 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 0.24

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
FDA SRS ANW5CM3PJ7
Human Metabolome Database HMDB0060444 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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