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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL461332
CHEMBL461332
Compound Name FLUCLORONIDE
ChEMBL Synonyms FLUCLOROLONE ACETONIDE | FLUCLORONIDE | RS-2252
Max Phase 4 (Approved)
Trade Names
Molecular Formula C24H29Cl2FO5

Additional synonyms for CHEMBL461332 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)C=C[C@]5(C)[C@ ...
Download SMILES
Standard InChI InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12( ...
Download InChI
Standard InChI Key NJNWEGFJCGYWQT-VSXGLTOVSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL461332

Molecule Features

CHEMBL461332 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:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov FLUCLORONIDE
The Cochrane Collaboration FLUCLORONIDE

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 CHEMBL461332. 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
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.997
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.807
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.597
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.285
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.273



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid 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
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.966
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.939
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.936
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.652
CHEMBL4218 Alpha trans-inducing protein (VP16) Herpes simplex virus (type 1 / strain 17) 0.321
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.291
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.250

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
487.4 486.1376 2.46 2 72.83 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
12.87 - 3.48 3.48 0 32 0.61

Structural Alerts

There are 13 structural alerts for CHEMBL461332. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NJNWEGFJCGYWQT-VSXGLTOVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL461332



ACToR 3693-39-8
ChEBI 135787
DrugBank DB08973
DrugCentral 3232
FDA SRS MG258KTA37
Nikkaji J8.216C
PubChem 20054914
SureChEMBL SCHEMBL6701
ZINC ZINC000004213332

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