Details of the Drug

General Information of Drug (ID: DMIZ0GO)

Drug Name

4,17-dehydroxyriccardin C

Synonyms

4,17-dehydroxyriccardin C; Riccardin C derivative, 20f; CHEMBL411912; BDBM23853

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)

392.5

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C28H24O2
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-dodecaen-24-ol
Canonical SMILES: C1CC2=CC=CC=C2C3=C(C=C(CCC4=CC(=CC=C4)OC5=CC=C1C=C5)C=C3)O
InChI: InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
InChIKey: AWANYYTXBZWDHH-UHFFFAOYSA-N

Cross-matching ID

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)

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.