Details of the Drug

General Information of Drug (ID: DM4F5OG)

Drug Name

6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin

Synonyms

CHEMBL199397; BDBM50176526

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): 0

Molecular Weight (mw)

270.24

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H10O5
IUPAC Name: 3-(3,5-dihydroxyphenyl)-6-hydroxychromen-2-one
Canonical SMILES: C1=CC2=C(C=C1O)C=C(C(=O)O2)C3=CC(=CC(=C3)O)O
InChI: InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H
InChIKey: DKFCOAXLNVHDTF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, and vasorelaxant and platelet antiaggregatory activities of coumarin-resveratrol hybrids. Bioorg Med Chem Lett. 2006 Jan 15;16(2):257-61.