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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL253582
CHEMBL253582
Compound Name SUCROSE
ChEMBL Synonyms SUCROSE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C12H22O11

Additional synonyms for CHEMBL253582 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15 ...
Download InChI
Standard InChI Key CZMRCDWAGMRECN-UGDNZRGBSA-N

Sources

  • British National Formulary
  • Gene Expression Atlas Compounds
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL253582

Molecule Features

CHEMBL253582 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ANXIETYD001007EFO:0005230ANXIETY2ClinicalTrials
HEART FAILURED006333EFO:0000373CONGESTIVE HEART FAILURE1ClinicalTrials
PREMATURE BIRTHD047928EFO:0003917PREMATURE BIRTH2ClinicalTrials
PAIND010146EFO:0003843PAIN3ClinicalTrials
RETINOPATHY OF PREMATURITYD012178EFO:1001158RETINOPATHY OF PREMATURITY1ClinicalTrials
SEXUAL DYSFUNCTION, PHYSIOLOGICALD012735EFO:0004714SEXUAL DYSFUNCTION2ClinicalTrials

Clinical Data

ClinicalTrials.gov SUCROSE
The Cochrane Collaboration SUCROSE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
342.3 342.1162 -4.31 5 189.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.81 - -4.49 -4.49 0 23 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL253582. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CZMRCDWAGMRECN-UGDNZRGBSA-N
PubChem SID: 144205646 SID: 144208595 SID: 144210728 SID: 26757665
Wikipedia Sucrose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL253582



ACToR 8027-47-2 100405-08-1 25702-74-3 12040-73-2
Atlas sucrose
Brenda 211271 31914 47829 124788 20931 15973 75951 152650 55
ChEBI 17992
DrugBank DB02772
DrugCentral 4610
eMolecules 31265981 484277 28206724 29491181
EPA CompTox Dashboard DTXSID2021288
FDA SRS C151H8M554
Guide to Pharmacology 5411
Human Metabolome Database HMDB0000258
IBM Patent System E244B58958851475E6DBCF2C23CCF889
KEGG Ligand C00089
Mcule MCULE-5933491732
Metabolights MTBLC17992
MolPort MolPort-003-926-939
Nikkaji J4.581K
PDBe SUC
PharmGKB PA451525
PubChem 5988
PubChem: Thomson Pharma 14851568 14778069
Recon sucr
Rhea 17992
SureChEMBL SCHEMBL1005
ZINC ZINC000004217475

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