Details of the Drug

General Information of Drug (ID: DMQ8X94)

Drug Name	Boronic acid derivative 3
Synonyms	PMID26413912-Compound-60
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight	267.05
	Logarithm of the Partition Coefficient	Not Available
	Rotatable Bond Count	3
	Hydrogen Bond Donor Count	2
	Hydrogen Bond Acceptor Count	6
Chemical Identifiers	Formula C13H10BN3O3 IUPAC Name [4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid Canonical SMILES B(C1=CC=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3)(O)O InChI InChI=1S/C13H10BN3O3/c18-14(19)11-5-3-9(4-6-11)12-16-17-13(20-12)10-2-1-7-15-8-10/h1-8,18-19H InChIKey GUJFLRGCBMMKFL-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 58343925 TTD ID D0PU2A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

Molecular Expression Atlas (MEA)

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References

1	Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.