Details of the Drug

General Information of Drug (ID: DM3TDEO)

Drug Name
NSC-348926
Synonyms NSC-348926; NSC348926; 2-phthalimidoadipic acid; AC1L7IP1; SCHEMBL9741723; CHEMBL599367; 2-(1,3-dioxoisoindol-2-yl)hexanedioic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 291.26
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H13NO6
IUPAC Name
2-(1,3-dioxoisoindol-2-yl)hexanedioic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCCC(=O)O)C(=O)O
InChI
InChI=1S/C14H13NO6/c16-11(17)7-3-6-10(14(20)21)15-12(18)8-4-1-2-5-9(8)13(15)19/h1-2,4-5,10H,3,6-7H2,(H,16,17)(H,20,21)
InChIKey
WJNORNDVKYKEGX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
336008
TTD ID
D06VVV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA [cytosine-5]-methyltransferase (DNMT) TTHVCUP NOUNIPROTAC Inhibitor [1]
DNA [cytosine-5]-methyltransferase 3B (DNMT3B) TT6VZ78 DNM3B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. Bioorg Med Chem. 2010 Jan 15;18(2):822-9.