Details of the Drug

General Information of Drug (ID: DMFGUXZ)

Drug Name

1-(oxazolo[4,5-b]pyridin-2-yl)octan-1-one

Synonyms

CHEMBL257305; SCHEMBL3966136; BDBM50350545

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

246.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H18N2O2
IUPAC Name: 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one
Canonical SMILES: CCCCCCCC(=O)C1=NC2=C(O1)C=CC=N2
InChI: InChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3
InChIKey: HTWHWGPGIJSJQP-UHFFFAOYSA-N

Cross-matching ID

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

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

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	Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95.