Details of the Drug | DrugMAP

General Information of Drug (ID: DMEMYDZ)

Drug Name	4-aryl quinol derivative 1
Synonyms	PMID27977313-Compound-20
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			242.29
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C14H10O2S IUPAC Name 4-(1-benzothiophen-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one Canonical SMILES C1=CC=C2C(=C1)C=C(S2)C3(C=CC(=O)C=C3)O InChI InChI=1S/C14H10O2S/c15-11-5-7-14(16,8-6-11)13-9-10-3-1-2-4-12(10)17-13/h1-9,16H InChIKey TXEIZQHZDIXJLD-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 482698 TTD ID D0L2NG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytoplasmic thioredoxin reductase (TXNRD1)	TTR7UJ3	TRXR1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Thioredoxin reductase inhibitors: a patent review.Expert Opin Ther Pat. 2017 May;27(5):547-556.