Details of the Drug

General Information of Drug (ID: DMD4WHN)

Drug Name

3-(benzyloxy)-2-(4-chlorophenyl)thiazolidin-4-one

Synonyms

CHEMBL217096; 921611-01-0; 3-(benzyloxy)-2-(4-chlorophenyl)thiazolidin-4-one; CTK3H0755; DTXSID50658813; BDBM50198243; AKOS030551987; 4-Thiazolidinone, 2-(4-chlorophenyl)-3-(phenylmethoxy)-

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)

319.8

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14ClNO2S
IUPAC Name: 2-(4-chlorophenyl)-3-phenylmethoxy-1,3-thiazolidin-4-one
Canonical SMILES: C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3
InChI: InChI=1S/C16H14ClNO2S/c17-14-8-6-13(7-9-14)16-18(15(19)11-21-16)20-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey: HYDHJKJHWORBLX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44418147
CAS Number: 921611-01-0
TTD ID: D0J0OY

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.