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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.