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]
ATC Code
J05AX06: PLECONARIL
J05AX: Other antivirals
J05A: DIRECT ACTING ANTIVIRALS
J05: ANTIVIRALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
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) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
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
UNII
9H4570Q89D
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]
Molecular Interaction Atlas (MIA) 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.