Details of the Drug

General Information of Drug (ID: DM53Z4I)

• Drug Name: US9040714, 7
• Synonyms: SCHEMBL14924888; CHEMBL3639668; BDBM160340; US9040714, 7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 345.14
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H9BrO4
  IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-2-oxochromene-8-carbaldehyde
  Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(C(=C(C=C3)O)C=O)OC2=O)Br
  InChI: InChI=1S/C16H9BrO4/c17-11-4-1-9(2-5-11)12-7-10-3-6-14(19)13(8-18)15(10)21-16(12)20/h1-8,19H
  InChIKey: DJSPMRZGTUKARX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89548086
  TTD ID: D00OUG

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. US9040714.