Details of the Drug

General Information of Drug (ID: DMDELNU)

• Drug Name: US9040714, 155
• Synonyms: SCHEMBL14916256; CHEMBL3639669; BDBM160441; US9040714, 155
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 377.4
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H23NO7
  IUPAC Name: N-ethyl-3-[8-formyl-7-hydroxy-5-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
  Canonical SMILES: CCNC(=O)CCC1=C(C2=C(C=C(C(=C2OC1=O)C=O)O)OCCOC)C
  InChI: InChI=1S/C19H23NO7/c1-4-20-16(23)6-5-12-11(2)17-15(26-8-7-25-3)9-14(22)13(10-21)18(17)27-19(12)24/h9-10,22H,4-8H2,1-3H3,(H,20,23)
  InChIKey: LPHJXGTWAKQUGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89541971
  TTD ID: D0ZP0G

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.