<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:15:04 UTC</creation_date>
  <update_date>2026-08-21 22:46:55 UTC</update_date>
  <accession/>
  <common_name>Aclovate</common_name>
  <class>SmallMolecule</class>
  <description>Aclovate is an organic compound with the formula C22H29ClO5 and an average molecular weight of 408.92 g/mol. Aclovate belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. It is recorded as being found in or released from three sources: corticosteroids and antiinflammatory agents within healthcare, pharmaceuticals, and veterinary products, as well as other smoking requisites within household cleaning and consumer products. The recorded route of exposure for this compound is topical.

Regarding its biological activity, Aclovate has two recorded protein targets. It acts as an agonist or binder of the glucocorticoid receptor (NR3C1) and targets corticosteroid-binding globulin (SERPINA6).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H29ClO5</chemical_formula>
  <average_molecular_weight>408.92</average_molecular_weight>
  <monisotopic_moleculate_weight>408.1703517</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>67452-97-5</cas_registry_number>
  <smiles>[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C</smiles>
  <inchi>InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1</inchi>
  <inchikey>FJXOGVLKCZQRDN-PHCHRAKRSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Alclometasone Action Pathway</name>
      <smpdb_id>SMP0126158</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Alclometasone Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0142701</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.68</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>408.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>408.1703517</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H29ClO5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FJXOGVLKCZQRDN-PHCHRAKRSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f8698daa8d8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB00240</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5311000</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
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      <target_id>BE0000794</target_id>
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      <target_id>BE0000209</target_id>
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  </targets>
</compound>
