Details of the Drug

General Information of Drug (ID: DM9ZMQH)

• Drug Name: Clocortolone
• Synonyms: Clocortolona; Clocortolonum; Clocortolone (INN); (6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one; 9-chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methyl-1,4-pregnadien-3,20-dione; 9-chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione; 9-chloro-6alpha-fluoro-16alpha-methyl-1,4-pregnadiene-11beta,21-diol-3,20-dione

Indication

Disease Entry	ICD 11	Status	REF
Exanthem	N.A.	Approved	[1]
Granuloma annulare	N.A.	Approved	[1]
Primary cutaneous T-cell lymphoma	N.A.	Approved	[1]
Rosacea	ED90.0	Approved	[2]

• Affected Organisms: Humans and other mammals
• ATC Code:
  D07AB21: Clocortolone
  D07AB: Corticosteroids, moderately potent (group II)
  D07A: CORTICOSTEROIDS, PLAIN
  D07: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
  D: DERMATOLOGICALS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 410.9
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• ADMET Property: Metabolism: The drug is metabolized via the liver []
• Chemical Identifiers:
  Formula: C22H28ClFO4
  IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
  Canonical SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)Cl)C)F
  InChI: InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
  InChIKey: YMTMADLUXIRMGX-RFPWEZLHSA-N
• Cross-matching ID:
  PubChem CID: 5311052
  ChEBI ID: CHEMBL59582
  CAS Number: 4828-27-7
  UNII: N8ZUB7XE0H
  DrugBank ID: DB00838
  TTD ID: D00GOS
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase A2 (PLA2G1B)	TT9V5JH	PA21B_HUMAN	Inducer	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Exanthem

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phospholipase A2 (PLA2G1B)	DTT	PLA2G1B	2.65E-01	-0.08	-0.21

References

• [1] Clocortolone FDA Label
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [3] Clocortolone pivalate: a paired comparison clinical trial of a new topical steroid in eczema/atopic dermatitis. Cutis. 1980 Jan;25(1):96-8.