Details of the Drug

General Information of Drug (ID: DMFRZGS)

Drug Name

3-(4-methoxybenzyloxy)-2-phenylthiazolidin-4-one

Synonyms

CHEMBL386837; 921611-05-4; 3-(4-methoxybenzyloxy)-2-phenylthiazolidin-4-one; CTK3H0752; DTXSID80658821; BDBM50198253; AKOS030552092; 4-Thiazolidinone, 3-[(4-methoxyphenyl)methoxy]-2-phenyl-

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)

315.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H17NO3S
IUPAC Name: 3-[(4-methoxyphenyl)methoxy]-2-phenyl-1,3-thiazolidin-4-one
Canonical SMILES: COC1=CC=C(C=C1)CON2C(SCC2=O)C3=CC=CC=C3
InChI: InChI=1S/C17H17NO3S/c1-20-15-9-7-13(8-10-15)11-21-18-16(19)12-22-17(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKey: IUBPXBYZGYCTMU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44418200
CAS Number: 921611-05-4
TTD ID: D0XB2Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Evolution of thiazolidine-based blockers of human Kv1.5 for the treatment of atrial arrhythmias. Bioorg Med Chem Lett. 2007 Jan 1;17(1):282-4.