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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL441687
CHEMBL441687
Compound Name GLYCYRRHIZIN
ChEMBL Synonyms GLYCYRRHIZINATE DIPOTASSIUM | Glycyrrhizic Acid | E958 | GLYCYRRHIZINIC ACID | GLYCYRRHIZIN | GLYCYRRHETINIC ACID
Max Phase 2
Trade Names
Molecular Formula C42H62O16

Additional synonyms for CHEMBL441687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H ...
Download SMILES
Standard InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17 ...
Download InChI
Standard InChI Key LPLVUJXQOOQHMX-QWBHMCJMSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL441687

Molecule Features

CHEMBL441687 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
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov GLYCYRRHIZIN
The Cochrane Collaboration GLYCYRRHIZIN

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
822.9 822.4038 2.25 7 267.04 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 8 3 16 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.76 - 4.64 -1.1 0 58 0.17

Structural Alerts

There are 10 structural alerts for CHEMBL441687. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A05 - BILE AND LIVER THERAPY
A05B - LIVER THERAPY, LIPOTROPICS
A05BA - Liver therapy
A05BA08 - glycyrrhizic acid

ChemSpider ChemSpider:LPLVUJXQOOQHMX-QWBHMCJMSA-N
PubChem SID: 144205073 SID: 144206976 SID: 144213802 SID: 26755251

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL441687



ACToR 139014-59-8
BindingDB 50185127
Brenda 5309 7205 4646 45060 15365
ChEBI 15939
DrugBank DB13751
DrugCentral 1325
eMolecules 6718806 30316177
EPA CompTox Dashboard DTXSID8047006
FDA SRS 6FO62043WK
Guide to Pharmacology 4688
IBM Patent System 565B62D1B59B6D54056E1AA44623FF36
Metabolights MTBLC15939
MolPort MolPort-006-113-280
Nikkaji J1.238F
PubChem 14982
PubChem: Drugs of the Future 12014953
PubChem: Thomson Pharma 14767124 14889369
Selleck Glycyrrhizic-acid
SureChEMBL SCHEMBL17684
ZINC ZINC000096015174

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