Details of the Drug

General Information of Drug (ID: DMTB91D)

• Drug Name: 5-tosyl-5H-dibenzo[b,d]azepin-7(6H)-one
• Synonyms: CHEMBL498086; 24127-35-3; KCIOJLFKVQHRPU-UHFFFAOYSA-N; 5,6-dihydro-5-(p-tolylsulfonyl)-7h-dibenz[b,d]azepin-7-one; 5-tosyl-5H-dibenzo[b,d]azepin-7(6H)-one; AC1LCKZQ; TimTec1_004880; Oprea1_188679; SCHEMBL3034555; CTK8H7702; HMS1547N18; 7H-Dibenz[b,d]azepin-7-one, 5,6-dihydro-5-(p-tolylsulfonyl)-; BDBM50279063; KB-310270; 5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one; 5-(Toluene-4-sulfonyl)-5,6-dihydro-dibenzo[b,d]azepin-7-one; 5-[(4-Methylphenyl)sulfonyl]-5,6-dihydro-7H-dibenzo[b,d]azepin-7-one #

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 363.4
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H17NO3S
  IUPAC Name: 5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=CC=CC=C3C4=CC=CC=C42
  InChI: InChI=1S/C21H17NO3S/c1-15-10-12-16(13-11-15)26(24,25)22-14-21(23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)22/h2-13H,14H2,1H3
  InChIKey: KCIOJLFKVQHRPU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 602095
  TTD ID: D0A4LH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel (KCN)	TTMNI76	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2299-304.