Details of the Drug

General Information of Drug (ID: DM2L9CO)

• Drug Name: Ezatiostat
• Synonyms: Telintra (TN)

Indication

Disease Entry	ICD 11	Status	REF
Myelodysplastic syndrome	2A37	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 529.6
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 17
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H35N3O6S
  IUPAC Name: ethyl (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
  Canonical SMILES: CCOC(=O)[C@H](CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)OCC)N
  InChI: InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21-,22-,24+/m0/s1
  InChIKey: GWEJFLVSOGNLSS-WPFOTENUSA-N
• Cross-matching ID:
  PubChem CID: 5310939
  CAS Number: 168682-53-9
  DrugBank ID: DB05460
  TTD ID: D0F5VD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutathione S-transferase P (GSTP1)	TT40K12	GSTP1_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 02 Neoplasm
• Disease Class: ICD-11: 2C82 Prostate cancer
• The Studied Tissue: Bone marrow
• The Studied Disease: Myelodysplastic syndrome [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutathione S-transferase P (GSTP1)	DTT	GSTP1	4.46E-01	1.42E-02	0.03

References

• [1] ClinicalTrials.gov (NCT01422486) Phase 2 Study of Telintra in Deletion 5q Myelodysplastic Syndrome. U.S. National Institutes of Health.
• [2] National Cancer Institute Drug Dictionary (drug id 485244).