Details of the Drug

General Information of Drug (ID: DMJO4I7)

Drug Name

6-(3-Chloro-benzenesulfonyl)-2H-pyridazin-3-one

Synonyms

6-(3-Chloro-benzenesulfonyl)-2H-pyridazin-3-one; SCHEMBL6206394; CHEMBL197924; BDBM16598; JORLLGPOJPMFRS-UHFFFAOYSA-N; Phenyl-Substituted Sulfonylpyridazinone, 8d

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.69

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H7ClN2O3S
IUPAC Name: 3-(3-chlorophenyl)sulfonyl-1H-pyridazin-6-one
Canonical SMILES: C1=CC(=CC(=C1)Cl)S(=O)(=O)C2=NNC(=O)C=C2
InChI: InChI=1S/C10H7ClN2O3S/c11-7-2-1-3-8(6-7)17(15,16)10-5-4-9(14)12-13-10/h1-6H,(H,12,14)
InChIKey: JORLLGPOJPMFRS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9943365
TTD ID: D0R7IJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Aldose reductase (AKR1B1)	DTT	AKR1B1	1.08E-20	0.94	1.58

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3... J Med Chem. 2005 Oct 6;48(20):6326-39.