Details of the Drug

General Information of Drug (ID: DMTOSXF)

Drug Name

12-dehydroxyriccardin C

Synonyms

12-dehydroxyriccardin C; Riccardin C derivative, 20c; CHEMBL260632; BDBM23850; 2',4-[Ethylene-1,4-phenylene-oxy-(6-hydroxy-1,3-phenylene)-ethylene]-1,1'-biphenyl-4'-ol

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#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(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16-diol
Canonical SMILES: C1CC2=CC(=C(C=C2)O)OC3=CC=C(CCC4=C(C=CC(=C4)O)C5=CC=C1C=C5)C=C3
InChI: InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2
InChIKey: VSXIMYQGZUVRSK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24860512
TTD ID: D0HA0U

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.