Details of the Drug

General Information of Drug (ID: DMP04Z6)

• Drug Name: 879325-11-8
• Synonyms: 3-bromo-8-formyl-7-hydroxy-4-methylcoumarin; 879325-11-8; SCHEMBL2555897; CHEMBL272811; BDBM160334; US9040714, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 283.07
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H7BrO4
  IUPAC Name: 3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
  Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C=O)O)Br
  InChI: InChI=1S/C11H7BrO4/c1-5-6-2-3-8(14)7(4-13)10(6)16-11(15)9(5)12/h2-4,14H,1H3
  InChIKey: YMUFHKSSNMFQIZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24799272
  TTD ID: D0KF0D

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.