grazoprevir
CHEBI:CHEBI_132975
Definition
An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.
Chemical Information
- Molecular Formula
- C38H50N6O9S
- Molecular Mass
- 766.906
- Charge
- 0
- SMILES
- [C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC
- InChI
- InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
- InChIKey
- OBMNJSNZOWALQB-NCQNOWPTSA-N
Alternative Names
- grazoprevir
- MK 5172
- (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
Treatment Applications
Drug Classification
-
carbamate esterView Class →
CHEBI:23003
-
cyclopropanesView Class →
CHEBI:51454
-
N-sulfonylcarboxamideView Class →
CHEBI:90852
-
aromatic etherView Class →
CHEBI:35618
-
azamacrocycleView Class →
CHEBI:52898
-
lactamView Class →
CHEBI:24995
-
quinoxaline derivativeView Class →
CHEBI:38771
-
t99787
-
t99802
-
t100276
Important Medical Information
⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.
- Always consult with a healthcare professional before starting, stopping, or modifying any medication.
- Side effects may vary and this list may not be comprehensive.
- Drug interactions may occur with other medications.
Additional Identifiers
- oboInOwl#hasDbXref
- Wikipedia:Grazoprevir
- DRON_00010000
- 1734630
- core#notation
- CHEBI:132975
Additional References
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
Additional Attributes
- oboInOwl#hasOBONamespace
- chebi_ontology
- oboInOwl#hasDbXref
- Wikipedia:Grazoprevir
- DRON_00010000
- 1734630
- oboInOwl#id
- CHEBI:132975
- core#notation
- CHEBI:132975
- RO_0000087
- http://purl.obolibrary.org/obo/CHEBI_64924
- oboInOwl#inSubset
- http://purl.obolibrary.org/obo/chebi#3_STAR
- 22-rdf-syntax-ns#type
- http://www.w3.org/2002/07/owl#Class
- rdf-schema#range
- https://w3id.org/def/predibionto#has_drug_106370
- rdf-schema#domain
- https://w3id.org/def/predibionto#has_side_effect1898
- owl#annotatedSource
- t100693
- owl#someValuesFrom
- t2999363