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Pleconaril

Pleconaril structure

CAS No:
153168-05-9
Formula:
C18H18F3N3O3
Chemical Name:
Pleconaril
Synonyms:
1,2,4-Oxadiazole,3-[3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-;3-[3,5-Dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;Win 63843;VP 63843;Pleconaril;Picovir
Categories:
Specialty Chemicals

Description

Pleconaril is an antiviral drug from viral capsid inhibitor class, manufactured by Schering-Plough and intended for the prevention of acute asthma exacerbations and common cold symptoms in asthmatic patients who have had exposure to picornavirus. It acts by inhibiting viral replication. The use of pleconaril has not gained approval by the U.S. Food and Drug Administration (FDA) due to the fact that it has been found to induce CYP3A enzyme activity, therefore increasing the risk for serious drug interactions.|Pleconaril is a small-molecule inhibitor with activity against viruses in the picornaviridae family, including enterovirus and rhinovirus. Pleconaril binds to a hydrophobic pocket in the major capsid protein and prevents uncoating of the viral RNA genome. In enteroviruses it also prevents the virus from attaching itself to the host cell.

Pleconaril Basic Attributes

Molecular Weight：

381.3 g/mol

Exact Mass：

381.35

UNII：

9H4570Q89D

DSSTox ID：

DTXSID8057649

NCI Thesaurus Code：

C81604

ATC Code：

J - Antiinfectives for systemic use

Characteristics

PSA：

74.2 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Protein Binding：

>99%

Drug Information

Drug Indication：

Investigated for use/treatment in upper respiratory infection.

MeSH：

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

Absorption：

70% (oral)

Mechanism of Action：

Pleconaril binds to a hydrophobic pocket in viral protein 1, the major protein which makes up the capsid (shell) of picornaviruses. This renders the viral capsid rigid and compressed and prevents the uncoating of its RNA. As a result, the virus is stopped from attaching to the host cell and causing infection.

MeSH Entry Terms：

3-(3,5-dimethyl-4((3-(3-methyl-5-isoxazolyl)propyl)phenyl)-5-trifluoromethyl)-1,2,4-oxadiazole

Computed Properties

Molecular Weight:381.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:381.13002593
Monoisotopic Mass:381.13002593
Topological Polar Surface Area:74.2
Heavy Atom Count:27
Complexity:471
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Pleconaril

CAS No.: 153168-05-9

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Anqing Rongchuang Biotechnology Co., Ltd Contact Supplier

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CAS No.: 153168-05-9

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