Details of the Drug

General Information of Drug (ID: DMQX7FW)

Drug Name

2-phenoxy-1-(2-p-tolylthiazolidin-3-yl)ethanone

Synonyms

CHEMBL217530

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)

313.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H19NO2S
IUPAC Name: 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
Canonical SMILES: CC1=CC=C(C=C1)C2N(CCS2)C(=O)COC3=CC=CC=C3
InChI: InChI=1S/C18H19NO2S/c1-14-7-9-15(10-8-14)18-19(11-12-22-18)17(20)13-21-16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
InChIKey: MHEJSTGXKATLNP-UHFFFAOYSA-N

Cross-matching ID

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)

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.