Details of the Drug

General Information of Drug (ID: DM7UHJS)

• Drug Name: 17-dehydroxyriccardin C
• Synonyms: 17-dehydroxyriccardin C; Riccardin C derivative, 20b; CHEMBL409652; BDBM23849; 2',4-[Ethylene-1,4-phenylene-oxy-(6-hydroxy-1,3-phenylene)-ethylene]-1,1'-biphenyl-2-ol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 408.5
  Logarithm of the Partition Coefficient (xlogp); 6.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C28H24O3
  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-16,24-diol
  Canonical SMILES: C1CC2=CC=CC=C2C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
  InChI: InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2
  InChIKey: OAEVJFPPXJHCKV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24860511
  ChEBI ID: CHEMBL409652
  TTD ID: D0Z8LE
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Inhibitor	[1]

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.