Details of the Drug

General Information of Drug (ID: DMCXA1Y)

• Drug Name: 10-Isopropyl-10H-dibenzo[b,f][1,4]oxazepin-11-one
• Synonyms: 10iPr-DBOA-11one; 10-Isopropyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one; 135810-42-3; 10-Isopropyl-dibenz[b,f][1,4]oxazepin-11-(10H)-one; Dibenzoxazepinone 12; AC1L9R9N; CHEMBL56567; SCHEMBL7955434; BDBM1974; DTXSID10159533; ACJZSMFIMMQNTP-UHFFFAOYSA-N; 5-isopropylbenzo[b][1,4]benzoxazepin-6-one; 5-propan-2-ylbenzo[b][1,4]benzoxazepin-6-one; 10-Isopropyldibenz[b,f][1,4]oxazepin-11(10H)-one; 10-isopropyl-10H-dibenz[b,f][1,4]oxazepin-11-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); 253.29
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H15NO2
  IUPAC Name: 5-propan-2-ylbenzo[b][1,4]benzoxazepin-6-one
  Canonical SMILES: CC(C)N1C2=CC=CC=C2OC3=CC=CC=C3C1=O
  InChI: InChI=1S/C16H15NO2/c1-11(2)17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-11H,1-2H3
  InChIKey: ACJZSMFIMMQNTP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 453918
  CAS Number: 135810-42-3
  TTD ID: D04AQW

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.