Details of the Drug

General Information of Drug (ID: DM4YL5Q)

Drug Name

3-ethoxycarbonylpyroglutamate

Synonyms

3-ethoxycarbonylpyroglutamate

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)

229.23

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H15NO5
IUPAC Name: diethyl 5-oxopyrrolidine-2,3-dicarboxylate
Canonical SMILES: CCOC(=O)C1CC(=O)NC1C(=O)OCC
InChI: InChI=1S/C10H15NO5/c1-3-15-9(13)6-5-7(12)11-8(6)10(14)16-4-2/h6,8H,3-5H2,1-2H3,(H,11,12)
InChIKey: OUZUMLMSKXXOLI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of novel lipophilic inhibitors of OXA-10 enzyme (class D beta-lactamase) by screening amino analogs and homologs of citrate and isocitrate. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3593-7.