Details of the Drug

General Information of Drug (ID: DM7JSQL)

Drug Name
[4',4''']-biflavone
Synonyms CHEMBL205219; [4'',4'''''']-biflavone; BDBM50183248
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) 442.5
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C30H18O4
IUPAC Name
2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC(=O)C6=CC=CC=C6O5
InChI
InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
InChIKey
HTPYEYLGDZAIRX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11962186
ChEBI ID
CHEMBL205219
CAS Number
1109-30-4
TTD ID
D0L6GV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cytosolic phospholipase A2 (GIVA cPLA2) TTT1JVS PA24A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitory effect of synthetic C-C biflavones on various phospholipase A(2)s activity. Bioorg Med Chem. 2007 Nov 15;15(22):7138-43.