Details of the Drug

General Information of Drug (ID: DMVI83P)

• Drug Name: US8614253, 29-19
• Synonyms: SCHEMBL12674915; CHEMBL3665044; BDBM111359; US8614253, 29-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 319.4
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H17NO3
  IUPAC Name: 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide
  Canonical SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=C(C=C3)O)C=O
  InChI: InChI=1S/C20H17NO3/c1-21(2)20(24)16-5-3-4-13(11-16)14-6-8-17-15(10-14)7-9-19(23)18(17)12-22/h3-12,23H,1-2H3
  InChIKey: NWWPDKVVFKCCIV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59599768
  TTD ID: D0GK1K

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.