Details of the Drug

General Information of Drug (ID: DMK10ZC)

Drug Name

PLECONARIL

Synonyms

Picovir; Pleconaril < Prop INN; SR-263843; SR-63843; VP-63843; Win-63843; 3-[3,5-Dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

381.3

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The oral absorption of drug is 70% []

Chemical Identifiers

Formula: C18H18F3N3O3
IUPAC Name: 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Canonical SMILES: CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F
InChI: InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
InChIKey: KQOXLKOJHVFTRN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1684
CAS Number: 153168-05-9
DrugBank ID: DB05105
TTD ID: D0W1US

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Picornavirus Capsid protein VP1 (PicVir VP1)	TT87Q2D	CAPSD_NVN68	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00031512) Pleconaril Enteroviral Sepsis Syndrome. U.S. National Institutes of Health.
2	Relationship of pleconaril susceptibility and clinical outcomes in treatment of common colds caused by rhinoviruses. Antimicrob Agents Chemother. 2005 Nov;49(11):4492-9.