Details of the Drug

General Information of Drug (ID: DMAMYWL)

• Drug Name: BMY-27709
• Synonyms: BMY-27709; AC1L2RSV; AC1Q3LRY; 99390-76-8; CHEMBL68649; Brl 20627; SCHEMBL15532024; 4-amino-5-chloro-2-hydroxy-n-[(2s,6r,9ar)-6-methyloctahydro-2h-quinolizin-2-yl]benzamide; 4-Amino-5-chloro-2-hydroxy-N-(octahydro-6-methyl-2H-quinolizin-2yl)benzamide; N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-hydroxy-benzamide; Benzamide, 4-amino-N-[(2S,6R,9aR)-octahydro-6-methyl-2H-quinolizin-2-yl]-5-chloro-2-hydroxy-

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); 337.8
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H24ClN3O2
  IUPAC Name: N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-hydroxybenzamide
  Canonical SMILES: C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=CC(=C(C=C3O)N)Cl
  InChI: InChI=1S/C17H24ClN3O2/c1-10-3-2-4-12-7-11(5-6-21(10)12)20-17(23)13-8-14(18)15(19)9-16(13)22/h8-12,22H,2-7,19H2,1H3,(H,20,23)/t10-,11+,12-/m1/s1
  InChIKey: SQQXDSFKORQHET-GRYCIOLGSA-N
• Cross-matching ID:
  PubChem CID: 127317
  CAS Number: 99390-76-8
  TTD ID: D04HHR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Hemagglutinin (Influ HA)	TTF4CAM	HEMA_I34A1	Inhibitor	[1]

References

• [1] Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion. Proc Natl Acad Sci U S A. 2008 Nov 18;105(46):17736-41.