Details of the Drug

General Information of Drug (ID: DMJKFVU)

• Drug Name: US8614253, 29-1
• Synonyms: CHEMBL3265258; SCHEMBL12767127; WXSWAZIIQXYJAM-UHFFFAOYSA-N; BDBM111341; US8614253, 29-1; methyl 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 306.3
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H14O4
  IUPAC Name: methyl 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoate
  Canonical SMILES: COC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=C(C=C3)O)C=O
  InChI: InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,1H3
  InChIKey: WXSWAZIIQXYJAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25160990
  TTD ID: D0AV6X

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. US9241942.