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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL230006
CHEMBL230006
Compound Name ENOXOLONE
ChEMBL Synonyms RHETINIC ACID | NSC-35347 | GLYCYRRHETIC ACID | URALENIC ACID | ENOXOLONE | NSC-35350
Max Phase 2
Trade Names
Molecular Formula C30H46O4

Additional synonyms for CHEMBL230006 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C ...
Download SMILES
Standard InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25 ...
Download InChI
Standard InChI Key MPDGHEJMBKOTSU-YKLVYJNSSA-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


CHEMBL230006

Molecule Features

CHEMBL230006 compound icon
Drug Type:Synthetic Small Molecule 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
SKIN ULCERD012883HP:0200042SKIN ULCER4ATC

Clinical Data

ClinicalTrials.gov ENOXOLONE
The Cochrane Collaboration ENOXOLONE

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 CHEMBL230006. 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
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL3807 T-cell protein-tyrosine phosphatase Homo sapiens 0.696
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.600
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.349



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3807 T-cell protein-tyrosine phosphatase Homo sapiens 1.000
CHEMBL2283 Carbonic anhydrase II Bos taurus 1.000
CHEMBL5983 Aldo-keto reductase family 1 member B10 Homo sapiens 1.000
CHEMBL335 Protein-tyrosine phosphatase 1B Homo sapiens 1.000
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.975
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.906
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.904
CHEMBL4804 Dual specificity phosphatase Cdc25B Homo sapiens 0.875
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.690
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.652
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.620
CHEMBL5409 G-protein coupled bile acid receptor 1 Homo sapiens 0.324

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
470.7 470.3396 5.66 1 74.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.71 - 5.5 2.85 0 34 0.52

Structural Alerts

There are 2 structural alerts for CHEMBL230006. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D03 - PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
D03A - CICATRIZANTS
D03AX - Other cicatrizants
D03AX10 - enoxolone

ChemSpider ChemSpider:MPDGHEJMBKOTSU-YKLVYJNSSA-N
PubChem SID: 104171338 SID: 11533025 SID: 144204355 SID: 144206279 SID: 144207997 SID: 26754257 SID: 29215195 SID: 56424132
Wikipedia Glycyrrhetinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL230006



ACToR 107420-91-7
BindingDB 50233538
ChEBI 30853
DrugCentral 3178
eMolecules 29537151 515584
EPA CompTox Dashboard DTXSID9020669
FDA SRS P540XA09DR
IBM Patent System 365B317FFFF2C57B7E6DEDA26028A80D 671C1A50DBD01CB19E5091B91354A998
KEGG Ligand C02283
LipidMaps LMPR0106150014
Mcule MCULE-4676598997
Metabolights MTBLC30853
MolPort MolPort-002-507-130
Nikkaji J5.943I
PDBe CBW
PubChem 10114
PubChem: Drugs of the Future 12015480
PubChem: Thomson Pharma 14932021 14834307
Selleck Enoxolone(Glycyrrhetin)
SureChEMBL SCHEMBL18540
ZINC ZINC000019203131

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