Details of the Drug

General Information of Drug (ID: DMN1SWB)

• Drug Name: EGS-21
• Synonyms: Glucocerebroside, Enzo; Glucosylceramide, Enzo Biochem

Indication

Disease Entry	ICD 11	Status	REF
Crohn disease	DD70	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 812.3
  Logarithm of the Partition Coefficient (xlogp); 15.6
  Rotatable Bond Count (rotbonds); 41
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C48H93NO8
  IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide
  Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
  InChI: InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
  InChIKey: POQRWMRXUOPCLD-GZXCKHLVSA-N
• Cross-matching ID:
  PubChem CID: 6475228
  ChEBI ID: CHEBI:84744
  TTD ID: D0D4ZW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin receptor (INSR)	TTCBFJO	INSR_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Crohn disease
• ICD Disease Classification: DD70

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Insulin receptor (INSR)	DTT	INSR	1.03E-05	0.26	0.66

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020751)
• [2] Ceramides and glucosylceramides are independent antagonists of insulin signaling. J Biol Chem. 2014 Jan 10;289(2):723-34.