Details of the Drug

General Information of Drug (ID: DM047HI)

• Drug Name: Vamorolone
• Synonyms: vamorolone; 13209-41-1; UNII-8XP29XMB43; VBP-15; 8XP29XMB43; CHEMBL2348780; 17,21-Dihydroxy-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione; A-Methyl-9,11-dehydro Prednisolone; (8S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one; Vamorolone [USAN]; VBP-15 free alcohol; VBP 15; EINECS 236-177-8; AC1MHYKY; Vamorolone (USAN/INN); SCHEMBL143459; GTPL9247; A)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione; ZINC33650317

Indication

Disease Entry	ICD 11	Status	REF
Duchenne muscular dystrophy	8C70.1	Approved	[1]
Duchenne dystrophy	8C70	Phase 2	[2]
Inflammatory bowel disease	DD72	Phase 1	[3]
Multiple sclerosis	8A40	Phase 1	[3]
Rheumatoid arthritis	FA20	Phase 1	[3]

• Affected Organisms: Humans
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 356.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H28O4
  IUPAC Name: (8S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
  Canonical SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C
  InChI: InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1
  InChIKey: ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
• Cross-matching ID:
  PubChem CID: 3035000
  ChEBI ID: CHEMBL2348780
  CAS Number: 13209-41-1
  UNII: 8XP29XMB43
  DrugBank ID: DB15114
  TTD ID: D0F6YM
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• 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
Glucocorticoid receptor messenger RNA (GCR mRNA)	TTOZRK6	GCR_HUMAN	Agonist	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Duchenne muscular dystrophy
• ICD Disease Classification: 8C70.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glucocorticoid receptor messenger RNA (GCR mRNA)	DTT	NR3C1	3.19E-02	0.54	1.67

References

• [1] FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 215239
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)