Details of the Drug

General Information of Drug (ID: DM8GW54)

• Drug Name: US9241942, 32-12
• Synonyms: CHEMBL3917195; SCHEMBL12674880; BDBM202540; US9241942, 32-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H20N2O4
  IUPAC Name: 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
  Canonical SMILES: CN1CCN(CC1)C(=O)C2=CC=C(O2)C3=CC4=C(C=C3)C(=C(C=C4)O)C=O
  InChI: InChI=1S/C21H20N2O4/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
  InChIKey: XYOMDLUIYINLEM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 88947020
  TTD ID: D0XX5N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Endoplasmic reticulum to nucleus signaling 1 (ERN1)	TTOJ9QL	ERN1_HUMAN	Inhibitor	[1]

References

• [1] IRE-1 inhibitors. US9493435.