Details of the Drug

General Information of Drug (ID: DMD3ST8)

• Drug Name: RTI-20
• Synonyms: 133627-12-0; CHEMBL288336; 2-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one; 2-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2,3-e)(1,4)diazepin-6-one; RTI-20; 2-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; ACMC-20mv0r; AC1L9QW9; Dipyridodiazepinone deriv. 16; BDBM1529; SCHEMBL8889357; CTK4B8683; DTXSID70158249; 2-chloro-11-ethyl-5-methyl-dipyrido[[ ],[ ]][1,4]diazepin-6-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); 288.73
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H13ClN4O
  IUPAC Name: 5-chloro-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
  Canonical SMILES: CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)Cl)C
  InChI: InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-8-16-12)14(20)18(2)10-6-7-11(15)17-13(10)19/h4-8H,3H2,1-2H3
  InChIKey: YSEMEGXOKULCML-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 453326
  CAS Number: 133627-12-0
  TTD ID: D0T7IG

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. 1. Tricyclic pyridobenzo- and dipyridodiazepinones. J Med Chem. 1991 Jul;34(7):2231-41.