Details of the Drug

General Information of Drug (ID: DMOBEL9)

Drug Name
7,8,3',4'-tetrahydroxyflavone
Synonyms
7,8,3',4'-tetrahydroxyflavone; 3440-24-2; 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one; 3',4',7,8-Tetrahydroxyflavone; CHEMBL222541; ARYCMKPCDNHQCL-UHFFFAOYSA-N; ST059620; 2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one; AC1LEMTC; AC1Q6AJ1; SCHEMBL35318; CTK4H2335; ZINC57844; DTXSID20350973; 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4h-chromen-4-on; CHEBI:125596; 7,8,3'',4''-tetrahydroxyflavone; BDBM50157547; AKOS024283046; ACM3440242; MCULE-5496936655; ZB002260; DB-048618; FT-0614178; C-57754
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) 286.24
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H10O6
IUPAC Name
2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
Canonical SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
InChIKey
ARYCMKPCDNHQCL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
688798
ChEBI ID
CHEBI:125596
CAS Number
3440-24-2
TTD ID
D0X5LN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
TERT messenger RNA (TERT mRNA) TTQY2EJ TERT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Catecholic flavonoids acting as telomerase inhibitors. J Med Chem. 2004 Dec 16;47(26):6466-75.