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
ATC Code
D07AB01: GTPL-9088
D07AB: Corticosteroids, moderately potent (group II)
D07A: CORTICOSTEROIDS, PLAIN
D07: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
S01BA09: GTPL-9088
S01BA: Corticosteroids, plain
S01B: ANTIINFLAMMATORY AGENTS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
Structure
3D MOL 2D MOL
#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
InChI=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
InChIKey
XXIFVOHLGBURIG-OZCCCYNHSA-N
Cross-matching ID
PubChem CID
71387
CAS Number
54063-32-0
UNII
LT69WY1J6D
DrugBank ID
DB13158
INTEDE ID
DR0345
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Product Information of Eumovate.