Details of the Drug

General Information of Drug (ID: DMD1258)

Drug Name

10-Propyl-10H-dibenzo[b,f][1,4]oxazepin-11-one

Synonyms

10Pr-DBOA-11one; 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one; 135810-41-2; 5-propylbenzo[b][1,4]benzoxazepin-6-one; 10-Propyl-dibenz[b,f][1,4]oxazepin-11-(10H)-one; Dibenzoxazepinone 1; AC1L9R9M; CHEMBL56451; SCHEMBL9004262; BDBM1973; DTXSID50159532; OGPOBJPKGVLINB-UHFFFAOYSA-N; 10-propyl-10H-dibenz[b,f][1.4]oxazepin-11-one; 10-Propyldibenz[b,f][1,4]oxazepin-11(10H)-one

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)

253.29

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H15NO2
IUPAC Name: 5-propylbenzo[b][1,4]benzoxazepin-6-one
Canonical SMILES: CCCN1C2=CC=CC=C2OC3=CC=CC=C3C1=O
InChI: InChI=1S/C16H15NO2/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: OGPOBJPKGVLINB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 453917
CAS Number: 135810-41-2
TTD ID: D0C9VN

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.