Details of the Drug

General Information of Drug (ID: DMNQIGZ)

Drug Name

2,5-bis(4-Hydroxyphenyl)thiophene

Synonyms

CHEMBL204010; 2,5-bis(4-Hydroxyphenyl)thiophene; SCHEMBL1181642; BDBM25849; ZINC28571224; 4,4'-(Thiophene-2,5-diyl)bisphenol; hydroxyphenyl substituted thiophene, 21

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)

268.3

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H12O2S
IUPAC Name: 4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)O)O
InChI: InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
InChIKey: KZMOBYGIRBRCFV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 14905189
TTD ID: D09UWI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Design, synthesis, and structure-activity relationship of novel thiophene derivatives for beta-amyloid plaque imaging. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1350-2.