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]
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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

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]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 2B1 (SLCO2B1)	DTPFTEQ	SO2B1_HUMAN	Substrate	[3]

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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.