Details of the Drug

General Information of Drug (ID: DMZ3N8A)

• Drug Name: 10-Propyl-10H-dibenzo[b,f][1,4]thiazepin-11-one
• Synonyms: 10Pr-DBTA-11one; 10-Propyl-dibenz(b,f)(1,4)thiazepin-11-(10H)-one; 135810-44-5; 5-propylbenzo[b][1,4]benzothiazepin-6-one; 10-Propyl-dibenz[b,f][1,4]thiazepin-11-(10H)-one; Dibenzoxazepinone 5; AC1L9R9G; CHEMBL55258; BDBM1994; SCHEMBL9004259; DTXSID30159535; ARJSKRFEYLKXQL-UHFFFAOYSA-N; 10-Propyldibenzo[b,f][1,4]thiazepin-11(10H)-one; 10-n-propyl-dibenz[b,f][1,4]thiazepin-11(10H)-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); 269.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H15NOS
  IUPAC Name: 5-propylbenzo[b][1,4]benzothiazepin-6-one
  Canonical SMILES: CCCN1C2=CC=CC=C2SC3=CC=CC=C3C1=O
  InChI: InChI=1S/C16H15NOS/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-10H,2,11H2,1H3
  InChIKey: ARJSKRFEYLKXQL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 453911
  CAS Number: 135810-44-5
  TTD ID: D0JZ8P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

References

• [1] Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 2. Tricyclic pyridobenzoxazepinones and dibenzoxazepinones. J Med Chem. 1992 May 15;35(10):1887-97.