Details of the Drug

General Information of Drug (ID: DMAE84F)

Drug Name
Alclometasone
Synonyms
Aclometasone; Aclovate (TN); Alclometasone (INN); Alclometasone [INN:BAN]; (7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (7alpha,11beta,16alpha)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 7alpha-Chloro-16alpha-methylprednisolone
Indication
Disease Entry ICD 11 Status REF
Exanthem N.A. Approved [1]
Granuloma annulare N.A. Approved [1]
Inflammation 1A00-CA43.1 Approved [2]
Primary cutaneous T-cell lymphoma N.A. Approved [1]
Therapeutic Class
Antiinflammatory Agents
Affected Organisms
Humans and other mammals
ATC Code
D07AB10: Alclometasone
D07AB: Corticosteroids, moderately potent (group II)
D07A: CORTICOSTEROIDS, PLAIN
D07: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
S01BA10: Alclometasone
S01BA: Corticosteroids, plain
S01B: ANTIINFLAMMATORY AGENTS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 408.9
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C22H29ClO5
IUPAC Name
(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Canonical SMILES
C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl
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
InChIKey
FJXOGVLKCZQRDN-PHCHRAKRSA-N
Cross-matching ID
PubChem CID
5311000
ChEBI ID
CHEBI:53776
CAS Number
67452-97-5
UNII
136H45TB7B
DrugBank ID
DB00240
TTD ID
D0F1EX
INTEDE ID
DR0056
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticosteroid-binding globulin (SERPINA6) TTJL8VG CBG_HUMAN Binder [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Exanthem
ICD Disease Classification
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Corticosteroid-binding globulin (SERPINA6) DTT SERPINA6 3.29E-04 -0.2 -0.2
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 6.90E-01 2.35E-02 7.88E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Alclometasone FDA Label
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
3 The anti-inflammatory effects of LY178002 and LY256548. Agents Actions. 1989 Jun;27(3-4):300-2.
4 Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule. BMC Pharmacol. 2010 Jul 16;10:8.