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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201064
CHEMBL1201064
Compound Name FLUOROMETHOLONE ACETATE
ChEMBL Synonyms FLUOROMETHOLONE ACETATE | FLAREX | U-17,323
Max Phase 4 (Approved)
Trade Names FLAREX
Molecular Formula C24H31FO5

Additional synonyms for CHEMBL1201064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)C[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27) ...
Download InChI
Standard InChI Key YRFXGQHBPBMFHW-SBTZIJSASA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201064

Molecule Features

CHEMBL1201064 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y 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 DailyMed Expert PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Eye DiseasesD005128EFO:0005752eye inflammation4ATC
ATC
Acne VulgarisD000152EFO:0003894acne4ATC

Clinical Data

ClinicalTrials.gov FLUOROMETHOLONE ACETATE
The Cochrane Collaboration FLUOROMETHOLONE 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 CHEMBL1201064. 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
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.998
CHEMBL3056 Androgen Receptor Mus musculus 0.998
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.995
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.907
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.524
CHEMBL208 Progesterone receptor Homo sapiens 0.355



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 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
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.996
CHEMBL3056 Androgen Receptor Mus musculus 0.981
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.939
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.787
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.786
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.723
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.698
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.683
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.462
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.372
CHEMBL208 Progesterone receptor Homo sapiens 0.369
CHEMBL240 HERG Homo sapiens 0.359

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
418.5 418.2156 3.49 2 80.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.01 - 2.75 2.75 0 30 0.69

Structural Alerts

There are 5 structural alerts for CHEMBL1201064. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01B - ANTIINFLAMMATORY AGENTS
S01BA - Corticosteroids, plain
S01BA07 - fluorometholone

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01C - ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
S01CB - Corticosteroids/antiinfectives/mydriatics in combination
S01CB05 - fluorometholone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XB - Corticosteroids, moderately potent, other combinations
D07XB04 - fluorometholone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AB - Corticosteroids, moderately potent (group II)
D07AB06 - fluorometholone

D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AA - Corticosteroids, combinations for treatment of acne
D10AA01 - fluorometholone

C - CARDIOVASCULAR SYSTEM
C05 - VASOPROTECTIVES
C05A - AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AA - Corticosteroids
C05AA06 - fluorometholone

ChemSpider ChemSpider:YRFXGQHBPBMFHW-SBTZIJSASA-N
DailyMed fluorometholone acetate
PubChem SID: 100431

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201064



ACToR 3801-06-7
ChEBI 78354
DrugCentral 4647
EPA CompTox Dashboard DTXSID20191424
FDA SRS 9I50C3I3OK
MolPort MolPort-005-943-419
Nikkaji J217.687D
PubChem 240767
PubChem: Thomson Pharma 14831534
SureChEMBL SCHEMBL43184
ZINC ZINC000004213357

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