Details of the Drug

General Information of Drug (ID: DMRSMW8)

Drug Name	PAI-2
Synonyms	N-Butyryl-DL-homoserine lactone; N-butanoyl-lhomoserine lactone; N-(2-oxooxolan-3-yl)butanamide; N-(2-oxotetrahydrofuran-3-yl)butanamide; N-Butyrylhomoserine lactone; 98426-48-3; N-(2-Oxotetrahydro-3-furanyl)butanamide; AC1L9ENE; SCHEMBL787006; Homoserine lactone, N-butanoyl-; N-Butanoyl-DL-homoserine lactone; VFFNZZXXTGXBOG-UHFFFAOYSA-N; LMFA08030002; AN-38291; N-Butyryl-DL-homoserine lactone, &gt
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	171.19
	Logarithm of the Partition Coefficient (xlogp)	0.5
	Rotatable Bond Count (rotbonds)	3
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C8H13NO3 IUPAC Name N-(2-oxooxolan-3-yl)butanamide Canonical SMILES CCCC(=O)NC1CCOC1=O InChI InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10) InChIKey VFFNZZXXTGXBOG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 443433 TTD ID D0D3VA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_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
Urokinase-type plasminogen activator (PLAU)	DTT	PLAU	5.32E-70	1.07	1.82

Molecular Expression Atlas (MEA)

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References

1	Topological localization of plasminogen activator inhibitor type 2. Cytometry. 2000 May 1;40(1):32-41.