Details of the Drug

General Information of Drug (ID: DM1SON5)

Drug Name

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

Synonyms

MLS000038106; SMR000040050; 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide; 5H-6-thia-4,5-diaza-chrysene 6,6-dioxide; Oprea1_666568; CBDivE_011354; CHEMBL428064; cid_659101; AC1LD057; CHEMBL1589921; SCHEMBL11973195; BDBM36894; CHEBI:93609; MolPort-002-134-452; CYSOFAOLQAYKGU-UHFFFAOYSA-N; HMS2479M21; ZINC230033; DNDI1318477; STL328289; AKOS022139691; MCULE-7323909600; NCGC00070544-03; EU-0033328; SR-01000388300; 5H-quino[8,7-c][1,2]benzothiazine 6,6-dioxide; SR-01000388300-1

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)

282.3

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H10N2O2S
IUPAC Name: 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C4=C(C=CC=N4)C=C3)NS2(=O)=O
InChI: InChI=1S/C15H10N2O2S/c18-20(19)13-6-2-1-5-11(13)12-8-7-10-4-3-9-16-14(10)15(12)17-20/h1-9,17H
InChIKey: CYSOFAOLQAYKGU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 659101
ChEBI ID: CHEBI:93609
TTD ID: D0Q2KK

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)

MIA Detail

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.