atovaquone

Ligand id: 9695

Name: atovaquone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.37
Molecular weight 366.1
XLogP 7.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1992))
IUPAC Name
trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
International Nonproprietary Names
INN number INN
6914 atovaquone
Synonyms
Mepron®
Database Links
ChEMBL Ligand CHEMBL1450
DrugBank Ligand DB01117
GtoPdb PubChem SID 348353654
PubChem CID 74989
RCSB PDB Ligand AOQ
Search Google for chemical match using the InChIKey KUCQYCKVKVOKAY-CTYIDZIISA-N
Search Google for chemicals with the same backbone KUCQYCKVKVOKAY
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Search UniChem for chemical match using the InChIKey KUCQYCKVKVOKAY-CTYIDZIISA-N
Search UniChem for chemicals with the same backbone KUCQYCKVKVOKAY
Wikipedia Atovaquone
Comments
Atovaquone is a synthetic hydroxynaphthoquinone with broad-spectrum antiprotozoal activity. It is an antimalarial drug and used in combination with proguanil.