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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1233058
CHEMBL1233058
Compound Name GALACTOSE
ChEMBL Synonyms GALACTOSE
Max Phase 3
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL1233058 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Standard InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2 ...
Download InChI
Standard InChI Key WQZGKKKJIJFFOK-PHYPRBDBSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1233058

Molecule Features

CHEMBL1233058 compound icon
Drug Type:Natural Product-derived Rule of Five:Y 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
Glomerulosclerosis, Focal SegmentalD005923EFO:0004236focal segmental glomerulosclerosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov GALACTOSE
The Cochrane Collaboration GALACTOSE

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 CHEMBL1233058. 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
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL4975 Adenosine A1 receptor Bos taurus 0.996
CHEMBL2864 6-O-methylguanine-DNA methyltransferase Homo sapiens 0.994
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.993
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.984
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.969
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.965



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL1973 Tyrosinase Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.999
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.999
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.999

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 180.0634 -3.22 1 110.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 - -2.49 -2.49 0 12 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL1233058. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V04 - DIAGNOSTIC AGENTS
V04C - OTHER DIAGNOSTIC AGENTS
V04CE - Tests for liver functional capacity
V04CE01 - galactose

ChemSpider ChemSpider:WQZGKKKJIJFFOK-PHYPRBDBSA-N
PubChem SID: 29215384

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1233058



ACToR 3646-73-9
BindingDB 50423644
Brenda 6705 1087
ChEBI 28061
DrugCentral 1271
eMolecules 30555480
EPA CompTox Dashboard DTXSID90189974
FDA SRS 7IOF6H4H77
Guide to Pharmacology 4646
Human Metabolome Database HMDB0033704 HMDB0000143
IBM Patent System 277F9D905822134DA207AF2E284870B5
KEGG Ligand C00984 C01582
Metabolights MTBLC28061
Nikkaji J292.885J
NMRShiftDB 20077721
PDBe GLA
PubChem 439357
PubChem: Thomson Pharma 14968276
Recon gal
Rhea 28061
SureChEMBL SCHEMBL18314
ZINC ZINC000000901155

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