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daclatasvir

CHEBI:CHEBI_82977

Definition

A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.

Chemical Information

Molecular Formula
C40H50N8O6
Molecular Mass
738.87500
Charge
0
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
InChI
InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1
InChIKey
FKRSSPOQAMALKA-CUPIEXAXSA-N

Alternative Names

  • BMS 790052
  • BMS-790052
  • BMS790052
  • Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate
  • methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate

Drug Classification

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

DRON_00010000
1606218
oboInOwl#hasDbXref
Wikipedia:Daclatasvir
core#notation
CHEBI:82977

Additional References

Wikipedia:Daclatasvir

🔍 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

has_treatment
http://purl.obolibrary.org/obo/DOID_0060642
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect36516
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_83801
owl#annotatedSource
t304151
owl#someValuesFrom
t2911368
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1606218
oboInOwl#hasDbXref
Wikipedia:Daclatasvir
oboInOwl#id
CHEBI:82977
core#notation
CHEBI:82977
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_83799
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_83801
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class