Details of the Drug

General Information of Drug (ID: DMLK0TX)

Drug Name

9-fluoro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide

Synonyms

CHEMBL270799; 9-fluoro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide; SCHEMBL11972977; KNMYXLXOQAHLHK-UHFFFAOYSA-N; BDBM50372499; NCGC00163040-01

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)

300.31

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H9FN2O2S
IUPAC Name: 9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
Canonical SMILES: C1=CC2=C(C3=C(C=C2)C4=C(C=CC(=C4)F)S(=O)(=O)N3)N=C1
InChI: InChI=1S/C15H9FN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H
InChIKey: KNMYXLXOQAHLHK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFkappaB activity within two separate high-throughput s... Bioorg Med Chem Lett. 2008 Jan 1;18(1):329-35.