Details of the Drug

General Information of Drug (ID: DMW2K1L)

• Drug Name: LAS-31180
• Synonyms: LAS-31180; LAS 31180; 137338-43-3; AC1Q6VQ1; AC1L50OY; ZINC8845; SCHEMBL7287896; DTXSID70160140; n-(1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)methanesulfonamide; CS-6714; HY-101811

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 252.29
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C11H12N2O3S
  IUPAC Name: N-(1-methyl-4-oxoquinolin-3-yl)methanesulfonamide
  Canonical SMILES: CN1C=C(C(=O)C2=CC=CC=C21)NS(=O)(=O)C
  InChI: InChI=1S/C11H12N2O3S/c1-13-7-9(12-17(2,15)16)11(14)8-5-3-4-6-10(8)13/h3-7,12H,1-2H3
  InChIKey: LSIYNVMXGMDGMG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 195841
  CAS Number: 137338-43-3
  TTD ID: D01OFY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3A (PDE3A)	TT06AWU	PDE3A_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Heart failure
• ICD Disease Classification: BD10-BD13

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 3A (PDE3A)	DTT	PDE3A	3.33E-01	1.35E-02	0.14

References

• [1] Pharmacological profile of LAS 31180, a new inotropic/vasodilator quinolone derivative. Arzneimittelforschung. 2000 Nov;50(11):980-6.