Details of the Drug

General Information of Drug (ID: DMPS7U2)

• Drug Name: GTPL-9088
• Synonyms: Clobetasona; Clobetasona [INN-Spanish]; Clobetasone; Clobetasone (INN); Clobetasone [INN:BAN]; Clobetasonum; Clobetasonum [INN-Latin]; LT69WY1J6D; SCHEMBL3581; XXIFVOHLGBURIG-OZCCCYNHSA-N; ZINC5752185; (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione; 21-Chlor-9-fluor-17-hydroxy-16beta-methyl-1,4-pregnadien-3,11,20-trion; 54063-32-0; AC1L2G2H; API0002061; D07717; DB13158; EINECS 258-953-5; GTPL9088; UNII-LT69WY1J6D
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 408.9
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• ADMET Property: Metabolism: The drug is metabolized via skin []
• Chemical Identifiers:
  Formula: C22H26ClFO4
  IUPAC Name: (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
  Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C
  InChI: XXIFVOHLGBURIG-OZCCCYNHSA-N
  InChIKey: 1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1
• Cross-matching ID:
  PubChem CID: 71387
  CAS Number: 54063-32-0
  DrugBank ID: DB13158
  INTEDE ID: DR0345

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[1]

References

• [1] Product Information of Eumovate.