Details of the Drug

General Information of Drug (ID: DMKD0ZP)

Drug Name
9-methyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
Synonyms CHEMBL271669; 9-methyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide; SCHEMBL11973219; CHEBI:94994; KYPLTYNYSYVGGA-UHFFFAOYSA-N; BDBM50372501; NCGC00163045-01; CU-00000000359-1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 296.3
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H12N2O2S
IUPAC Name
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
Canonical SMILES
CC1=CC2=C(C=C1)S(=O)(=O)NC3=C2C=CC4=C3N=CC=C4
InChI
InChI=1S/C16H12N2O2S/c1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20/h2-9,18H,1H3
InChIKey
KYPLTYNYSYVGGA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16759925
ChEBI ID
CHEMBL271669
TTD ID
D08KJM
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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]
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.