Details of the Drug

General Information of Drug (ID: DMRLPFG)

• Drug Name: DS-3201
• Synonyms: QTGYNKYZRZATJB-UHFFFAOYSA-N; 701899-63-0; 2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione; 2-(2-(2-Methyl-1H-imidazol-5-yl)-ethyl)isoindoline-1,3-dione; SCHEMBL7743461; MolPort-035-945-474; MolPort-035-690-353; ZINC98086069; AKOS024459002; AKOS024262663; MCULE-2708350770; FCH4077443; AK158834; AX8292467; ST2403812; 2-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

Indication

Disease Entry	ICD 11	Status	REF
Acute lymphoblastic leukaemia	2A85	Phase 1	[1]
Acute myeloid leukaemia	2A60	Phase 1	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 255.27
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H13N3O2
  IUPAC Name: 2-[2-(2-methyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
  Canonical SMILES: CC1=NC=C(N1)CCN2C(=O)C3=CC=CC=C3C2=O
  InChI: InChI=1S/C14H13N3O2/c1-9-15-8-10(16-9)6-7-17-13(18)11-4-2-3-5-12(11)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
  InChIKey: QTGYNKYZRZATJB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22627096
  TTD ID: D0LG8T
• 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
Enhancer of zeste homolog 1 (EZH1)	TTNJA0C	EZH1_HUMAN	Inhibitor	[1]
Enhancer of zeste homolog 2 (EZH2)	TT9MZCQ	EZH2_HUMAN	Inhibitor	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)