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COVID-19 Ontology
Last uploaded:
February 25, 2021
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| Id | http://purl.obolibrary.org/obo/CHEBI_7496
http://purl.obolibrary.org/obo/CHEBI_7496
|
|---|---|
| Preferred Name | nelfinavir |
| Definitions |
An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.
|
| Synonyms |
nelfinavir
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. |
|---|---|
| preferred label |
nelfinavir
|
| label |
nelfinavir
|
| prefLabel |
nelfinavir
|
| oboInOwl:hasDbXRef | |
| database_cross_reference |
PMID:24596143
PMID:23109184
Reaxys:7419619
PDBeChem:1UN
CAS:159989-64-7
PMID:23647753
PMID:24498124
PMID:23916134
PMID:23386514
PMID:23454896
PMID:24194293
HMDB:HMDB0014365
Wikipedia:Nelfinavir
PMID:24719428
PMID:24574416
PMID:24418752
PMID:24483157
Drug_Central:1893
LINCS:LSM-5819
PMID:23872785
KEGG:C07257
KEGG:D08259
DrugBank:DB00220
See more
See less
|
| notation |
CHEBI:7496
|
| in_subset | |
| inchi |
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
|
| has_related_synonym |
nelfinavir
|
| id |
CHEBI:7496
|
| fromPubMed |
true
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| textual definition |
An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.
|
| formula |
C32H45N3O4S
|
| subClassOf | |
| imported from | |
| inchikey |
QAGYKUNXZHXKMR-HKWSIXNMSA-N
|
| mass |
567.78200
|
| monoisotopicmass |
567.31308
|
| type | |
| smiles |
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
|
| alternative_term |
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
|
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