Details of the Drug

General Information of Drug (ID: DMIZESL)

• Drug Name: Stachyflin
• Synonyms: Stachyflin; dihydroxy(tetramethyl)[ ]one; (+)-Stachyflin; AC1LAQMJ; 3H-Naphtho[1',8a':5,6]pyrano[2,3-e]isoindol-3-one, 1,2,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-5,11-dihydroxy-6a,7,10,10-tetramethyl-, (6aR,7S,9aS,11S,13aS)-

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); 385.5
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H31NO4
  IUPAC Name: (1S,13R,14S,17S,19S)-10,19-dihydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-7-one
  Canonical SMILES: C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)CC[C@@H](C2(C)C)O
  InChI: InChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(26)7-8-23(17)22(12,4)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27)/t12-,17-,18-,22+,23-/m0/s1
  InChIKey: KUWCILGWLAWLGB-SFJHCMNLSA-N
• Cross-matching ID:
  PubChem CID: 493326
  TTD ID: D0Z2SL

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.