Details of the Drug

General Information of Drug (ID: DMEPZ2I)

Drug Name
folipastatin
Synonyms 139959-71-0
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): 1 Molecular Weight (mw) 380.4
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H24O5
IUPAC Name
1,7-bis[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,10-dimethylbenzo[b][1,4]benzodioxepin-6-one
Canonical SMILES
C/C=C(/C)\\C1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)O)/C(=C\\C)/C)C)O
InChI
InChI=1S/C23H24O5/c1-7-11(3)15-9-17(24)13(5)20-19(15)23(26)28-21-14(6)18(25)10-16(12(4)8-2)22(21)27-20/h7-10,24-25H,1-6H3/b11-7-,12-8-
InChIKey
JJMKBGPTPXPMBH-OXAWKVHCSA-N
Cross-matching ID
PubChem CID
6439424
CAS Number
139959-71-0
TTD ID
D0V4NV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phospholipase A2 (PLA2G1B) TT9V5JH PA21B_HUMAN Modulator [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
Phospholipase A2 (PLA2G1B) DTT PLA2G1B 2.65E-01 -0.08 -0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Folipastatin, a new depsidone compound from Aspergillus unguis as an inhibitor of phospholipase A2.Taxonomy, fermentation, isolation, structure determination and biological properties.J Antibiot (Tokyo).1992 Aug;45(8):1195-201.