Details of the Drug

General Information of Drug (ID: DMMSTCF)

Drug Name

K-832

Synonyms

10465-81-3; 1,1'-(Azodicarbonyl)-dipiperidine; AdDP; 1,1-(Azodicarbonyl)dipiperidine; 1,1'-(Azodicarbonyl)dipiperidine; diazene-1,2-diylbis(piperidin-1-ylmethanone); NSC356027; NSC 356027; (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide; azodicarboxylic acid dipiperidine; (E)-diazene-1,2-diylbis(piperidin-1-ylmethanone); Azodicarboxylic acid dipiperidide; J-503690; SR-4077; (E)-diazene-1,2-diylbis(piperidin-1-yl methanone); SR 4077; PubChem19605; piperidyl (piperidylcarbonyl)diazenyl ketone; AC1Q5JWC; AC1NWBQ9

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

418.9

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C24H19ClN2OS
IUPAC Name: 2-benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one
Canonical SMILES: CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI: InChI=1S/C24H19ClN2OS/c1-29-21-13-9-19(10-14-21)24-22(18-7-11-20(25)12-8-18)15-23(28)27(26-24)16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKey: HEUAVAATAFEENP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9844960
TTD ID: D00IUD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Interleukin-1 (IL1)	TTSD92E	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs for rheumatoid arthritis. Expert Opin Emerg Drugs. 2008 Mar;13(1):175-96.