ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200600
CHEMBL1200600
Compound Name FLUOROMETHOLONE
ChEMBL Synonyms FML FTE | FLUATON | FLUOR-OP | FML FORTE | Fml | FLUOROMETHOLONE | FML-NEO | OXYLONE
Max Phase 4 (Approved)
Trade Names Fml | OXYLONE | FML FORTE | FML-NEO | FLUATON | FLUOR-OP | FML FTE
Molecular Formula C22H29FO4

Additional synonyms for CHEMBL1200600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@] ...
Download SMILES
Standard InChI InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)1 ...
Download InChI
Standard InChI Key FAOZLTXFLGPHNG-KNAQIMQKSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL1200600

Molecule Features

CHEMBL1200600 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
Acne VulgarisD000152EFO:0003894acne4ATC
Eye DiseasesD005128EFO:0005752eye inflammation4ATC
ATC
Corneal OpacityD0033182ClinicalTrials
Dry Eye SyndromesD015352EFO:1000906dry eye syndrome3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUOROMETHOLONE
The Cochrane Collaboration FLUOROMETHOLONE

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 CHEMBL1200600. 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.992
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.971
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.919
CHEMBL3056 Androgen Receptor Mus musculus 0.848
CHEMBL208 Progesterone receptor Homo sapiens 0.769
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.712
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.388
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.378
CHEMBL1871 Androgen Receptor Homo sapiens 0.279
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.243
CHEMBL3464 Nitric oxide synthase, inducible Mus musculus 0.241



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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.996
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.995
CHEMBL3401 Pregnane X receptor Homo sapiens 0.977
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.914
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.897
CHEMBL1871 Androgen Receptor Homo sapiens 0.832
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.732
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.708
CHEMBL208 Progesterone receptor Homo sapiens 0.632
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.629
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.579
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.577

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
376.5 376.205 2.92 1 74.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.5 - 2.34 2.34 0 27 0.74

Structural Alerts

There are 4 structural alerts for CHEMBL1200600. To view alerts please click here.

Compound Cross References

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

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XB - Corticosteroids, moderately potent, other combinations
D07XB04 - 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
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:FAOZLTXFLGPHNG-KNAQIMQKSA-N
DailyMed fluorometholone
PubChem SID: 144203991 SID: 144212910 SID: 170464629 SID: 56422125 SID: 855588 SID: 91286
Wikipedia Fluorometholone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200600



ACToR 426-13-1
BindingDB 50103631
ChEBI 31625
DrugBank DB00324
DrugCentral 1208
eMolecules 538523 30316174
EPA CompTox Dashboard DTXSID7047435
FDA SRS SV0CSG527L
Guide to Pharmacology 7079
Human Metabolome Database HMDB0014469
IBM Patent System 4A5D5DE7A54CD674D1948520AF728E02
LINCS LSM-25624
MolPort MolPort-003-941-413
Nikkaji J2.041I
PharmGKB PA164781355
PubChem 9878
PubChem: Thomson Pharma 14902232 14804353
SureChEMBL SCHEMBL5051
ZINC ZINC000118912517

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