Details of the Drug

General Information of Drug (ID: DM1XTJC)

Drug Name
4,12,17-dehydroxyriccardin C
Synonyms Deoxyriccardin C; 4,12,17-dehydroxyriccardin C; Riccardin C derivative, 22; CHEMBL410486; BDBM23854
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) 376.5
Logarithm of the Partition Coefficient (xlogp) 7.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C28H24O
IUPAC Name
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene
Canonical SMILES
C1CC2=CC(=CC=C2)OC3=CC=C(CCC4=CC=CC=C4C5=CC=C1C=C5)C=C3
InChI
InChI=1S/C28H24O/c1-2-7-28-24(5-1)15-10-22-13-18-26(19-14-22)29-27-6-3-4-23(20-27)9-8-21-11-16-25(28)17-12-21/h1-7,11-14,16-20H,8-10,15H2
InChIKey
VHGMCOKOKWHSEA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24860516
ChEBI ID
CHEMBL410486
TTD ID
D09VLE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxysterols receptor LXR-alpha (NR1H3) TTECBXN NR1H3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. Bioorg Med Chem. 2008 Apr 15;16(8):4272-85.