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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201012
CHEMBL1201012
Compound Name FLURANDRENOLIDE
ChEMBL Synonyms CORDRAN SP | HAELAN-C | HAELAN | FLURANDRENOLIDE | FLURANDRENOLONE | FLUDROXYCORTIDE | CORDRAN | 33379 | HAELAN-X | FLUDROXICORTIDE
Max Phase 4 (Approved)
Trade Names CORDRAN | CORDRAN SP | HAELAN-X | HAELAN | HAELAN-C | FLURANDRENOLIDE
Molecular Formula C24H33FO6

Additional synonyms for CHEMBL1201012 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H ...
Download SMILES
Standard InChI InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27) ...
Download InChI
Standard InChI Key POPFMWWJOGLOIF-XWCQMRHXSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201012

Molecule Features

CHEMBL1201012 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLURANDRENOLIDE
The Cochrane Collaboration FLURANDRENOLIDE

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 CHEMBL1201012. 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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 0.980
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.962
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.814
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.813
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.496



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.998
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.997
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.997
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.822
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.757
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.720
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.600
CHEMBL3056 Androgen Receptor Mus musculus 0.487
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.441
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
436.5 436.2261 2.5 2 93.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 - 2.31 2.31 0 31 0.69

Structural Alerts

There are 4 structural alerts for CHEMBL1201012. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AC - Corticosteroids, potent (group III)
D07AC07 - fludroxycortide

ChemSpider ChemSpider:POPFMWWJOGLOIF-XWCQMRHXSA-N
DailyMed flurandrenolide
PubChem SID: 144204060 SID: 144212928 SID: 170465298 SID: 56424122 SID: 855862
Wikipedia Fludroxycortide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201012



ACToR 1524-88-5
ChEBI 5127
DrugBank DB00846
DrugCentral 1217
eMolecules 36553070
EPA CompTox Dashboard DTXSID2047434
FDA SRS 8EUL29XUQT
Guide to Pharmacology 7606
Human Metabolome Database HMDB0014984
IBM Patent System 6F400F56FD29FF9BAA5BD4652F3BC424
LINCS LSM-1993
MolPort MolPort-005-943-436
Nikkaji J3.671D
PharmGKB PA164750513
PubChem 15209
SureChEMBL SCHEMBL4694
ZINC ZINC000004097308

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