ritonavir

Ligand id: 8804

Name: ritonavir

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 22
Topological polar surface area 202.26
Molecular weight 720.31
XLogP 8.59
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate
International Nonproprietary Names
INN number INN
7449 ritonavir
Synonyms
A-84538 | ABBOTT-84538 | ABT 538 | ABT-538 | Norvir®
Database Links
CAS Registry No. 155213-67-5 (source: PubChem)
ChEMBL Ligand CHEMBL163
GtoPdb PubChem SID 252827462
PubChem CID 392622
RCSB PDB Ligand RIT
Search Google for chemical match using the InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N
Search Google for chemicals with the same backbone NCDNCNXCDXHOMX
Search PubMed clinical trials ritonavir
Search PubMed titles ritonavir
Search PubMed titles/abstracts ritonavir
Search UniChem for chemical match using the InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N
Search UniChem for chemicals with the same backbone NCDNCNXCDXHOMX
SynPHARM 82822 (in complex with CYP3A4)
Wikipedia Ritonavir
Comments
Ritonavir is an antiviral drug.