nitisinone

Ligand id: 6834

Name: nitisinone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 94.35
Molecular weight 329.05
XLogP 2.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
International Nonproprietary Names
INN number INN
7720 nitisinone
Synonyms
Orfadin® | SC-0735
Database Links
CAS Registry No. 104206-65-7
ChEMBL Ligand CHEMBL1337
DrugBank Ligand DB00348
PubChem CID 115355
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Wikipedia Nitisinone
Comments
Inhibits 4-hydroxyphenylpyruvate dioxygenase (HPD)