Details of the Drug

General Information of Drug (ID: DM360VU)

Drug Name
L-652731
Synonyms CHEMBL297624; L-652731; AC1OCET6; SCHEMBL7018011; BDBM50366241; U-80271; (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane; ([trans-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran])
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) 404.5
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H28O7
IUPAC Name
(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2CC[C@@H](O2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
InChIKey
YCCPYTPBHUIHGW-HZPDHXFCSA-N
Cross-matching ID
PubChem CID
6917920
TTD ID
D01CDL

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.