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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201010
CHEMBL1201010
Compound Name FLUDROCORTISONE ACETATE
ChEMBL Synonyms PANOTILE | FLORINEF | FLUORHYDROCORTISONE ACETATE | FLUDROCORTISONE ACETATE | Astonin | FLUDROCORTISONE | Fludrocortone
Max Phase 4 (Approved)
Trade Names FLORINEF | PANOTILE | Fludrocortone | Astonin | FLUDROCORTISONE ACETATE
Molecular Formula C23H31FO6

Additional synonyms for CHEMBL1201010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C ...
Download SMILES
Standard InChI InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4- ...
Download InChI
Standard InChI Key SYWHXTATXSMDSB-GSLJADNHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1201010

Molecule Features

CHEMBL1201010 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Addison DiseaseD0002244DailyMed
Shock, SepticD012772EFO:0006834septic shock3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
Adrenogenital SyndromeD047808Orphanet:181412Adrenogenital syndrome4DailyMed

Clinical Data

ClinicalTrials.gov FLUDROCORTISONE ACETATE
The Cochrane Collaboration FLUDROCORTISONE ACETATE

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 CHEMBL1201010. 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
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.997
CHEMBL3056 Androgen Receptor Mus musculus 0.990
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.921
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.730
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.285
CHEMBL3272 Cathepsin L2 Homo sapiens 0.283



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 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
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.998
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.953
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.918
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.827
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.713
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.593
CHEMBL3056 Androgen Receptor Mus musculus 0.527

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
422.5 422.2105 2.44 3 100.9 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
12.06 - 2.72 2.72 0 30 0.68

Structural Alerts

There are 6 structural alerts for CHEMBL1201010. To view alerts please click here.

Compound Cross References

ATC H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 - CORTICOSTEROIDS FOR SYSTEMIC USE
H02A - CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AA - Mineralocorticoids
H02AA02 - fludrocortisone

ChemSpider ChemSpider:SYWHXTATXSMDSB-GSLJADNHSA-N
DailyMed fludrocortisone acetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201010



ACToR 514-36-3
ChEBI 5102
DrugCentral 1191
eMolecules 31226071 2735171
EPA CompTox Dashboard DTXSID2023062
FDA SRS V47IF0PVH4
IBM Patent System 093995801B91B61E771D541B2DB70FE4
KEGG Ligand C08186
LipidMaps LMST02030122
Mcule MCULE-5285000603
MolPort MolPort-002-528-701
Nikkaji J6.287A
PubChem 225609
PubChem: Thomson Pharma 14782626
SureChEMBL SCHEMBL4737
ZINC ZINC000003977990

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