Details of the Drug

General Information of Drug (ID: DMSQODK)

• Drug Name: US8614253, 32-5
• Synonyms: SCHEMBL12767163; CHEMBL3639639; BDBM111369; US8614253, 32-5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 395.4
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C26H21NO3
  IUPAC Name: N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide
  Canonical SMILES: CN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=C(C=C4)O)C=O
  InChI: InChI=1S/C26H21NO3/c1-27(16-18-5-3-2-4-6-18)26(30)20-9-7-19(8-10-20)21-11-13-23-22(15-21)12-14-25(29)24(23)17-28/h2-15,17,29H,16H2,1H3
  InChIKey: VYGZNGAQJYQSJI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59599919
  TTD ID: D0DV4H

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. US8614253.