Details of the Drug

General Information of Drug (ID: DMR5V2A)

Drug Name	Benzo[d]oxazole derivative 2
Synonyms	PMID28454500-Compound-80
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	260.29
	Logarithm of the Partition Coefficient (xlogp)	4
	Rotatable Bond Count (rotbonds)	1
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C17H12N2O IUPAC Name 2-naphthalen-1-yl-1,3-benzoxazol-5-amine Canonical SMILES C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)N InChI InChI=1S/C17H12N2O/c18-12-8-9-16-15(10-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,18H2 InChIKey NCQQMVULPNMPEH-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 650480 TTD ID D07TEZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor erythroid 2-related factor 2 (Nrf2)	TTA6ZN2	NF2L2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nuclear factor erythroid 2-related factor 2 (Nrf2)	DTT	NFE2L2	4.75E-12	-0.28	-0.58

Molecular Expression Atlas (MEA)

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References

1	Recent progress in the development of small molecule Nrf2 modulators: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):763-785.