Details of the Drug

General Information of Drug (ID: DM9R2SD)

Drug Name
Alilusem
Synonyms M-12285; M-17000; M-17055; MD-31
Indication
Disease Entry ICD 11 Status REF
Diuretic vasodilator BA00 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.8
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H15ClN2O5S
IUPAC Name
[(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Canonical SMILES
CC1=CC=CC=C1C(=O)N2CC/C(=N\\OS(=O)(=O)O)/C3=C2C=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O5S/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-25-26(22,23)24)14-7-6-12(18)10-16(14)20/h2-7,10H,8-9H2,1H3,(H,22,23,24)/b19-15+
InChIKey
QQCSUWGQBREWRO-XDJHFCHBSA-N
Cross-matching ID
PubChem CID
6338015
CAS Number
791024-52-7
TTD ID
D05ZHA
VARIDT ID
DR01462
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/potassium transport (Na/K trans) TTYJL7K NOUNIPROTAC Modulator [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic anion transporting polypeptide 2B1 (SLCO2B1) DTPFTEQ SO2B1_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002090)
2 US patent application no. 8,067,031, Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use.
3 Characterization of the uptake mechanism for a novel loop diuretic, M17055, in Caco-2 cells: involvement of organic anion transporting polypeptide (OATP)-B. Pharm Res. 2007 Jan;24(1):90-8.