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
Structure
3D MOL 2D MOL
#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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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