Details of the Drug

General Information of Drug (ID: DMLENQ7)

• Drug Name: L-659989
• Synonyms: L-659989; 113787-28-3; L-659,989; L659989; L 659989; CHEMBL37781; SCHEMBL6154076; GTPL3426; DTXSID70433028; BDBM50002829; ZINC13650944; FT-0670693; L-662,418; L-659,989, (+); (2S,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane; (2R,5R)-rel-Tetrahydro-2-[3-methoxy-5-(methylsulfonyl)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)furan; trans-( inverted exclamation markA)-Tetrahydro-2-[3-methoxy-5-(methylsulfonyl)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)furan
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 480.6
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H32O8S
  IUPAC Name: (2S,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
  Canonical SMILES: CCCOC1=C(C=C(C=C1S(=O)(=O)C)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC
  InChI: InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
  InChIKey: NZWPFJNQOZFEDT-ROUUACIJSA-N
• Cross-matching ID:
  PubChem CID: 9934870
  CAS Number: 113787-28-3
  TTD ID: D0MA3D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

References

• [1] Development, synthesis, and biological evaluation of (-)-trans-(2S,5S)-2-[3-[(2-oxopropyl)sulfonyl]-4-n-propoxy-5-(3- hydroxypropoxy)-phenyl]-5-(3,... J Med Chem. 1992 Sep 18;35(19):3474-82.