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]
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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