Details of the Drug

General Information of Drug (ID: DMN6S3F)

Drug Name

2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL

Synonyms

2-(4-Hydroxy-phenyl)benzofuran-5-OL; 2-(4-Hydroxy-phenyl)-benzofuran-5-ol; 2-(4-hydroxyphenyl)-1-benzofuran-5-ol; CHEMBL367588; 52814-86-5; 2-(4-Hydroxyphenyl)benzofuran-5-ol; AC1LCVQT; 1u9e; SCHEMBL3922677; CTK1G1983; DTXSID60349669; SNNNDCMXZYWCCI-UHFFFAOYSA-N; ZINC3816519; BDBM50152627; SBB096959; AKOS030555876; DB07032; 2-(4-hydroxyphenyl)benzo[b]furan-5-ol; 5-Benzofuranol,

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)

226.23

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10O3
IUPAC Name: 2-(4-hydroxyphenyl)-1-benzofuran-5-ol
Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)O
InChI: InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H
InChIKey: SNNNDCMXZYWCCI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 656936
CAS Number: 52814-86-5
DrugBank ID: DB07032
TTD ID: D01WCA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[2]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J Med Chem. 2004 Oct 7;47(21):5021-40.