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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | maraviroc | |
| Synonyms |
maravirocum maraviroc 4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide |
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| Definitions |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the primary amino group of (1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylamine. An antiretroviral drug, it prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63608 |
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| alternative label |
maravirocum maraviroc 4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide
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|
| charge |
0
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| database_cross_reference |
KEGG:D06670 PMID:21134404 PMID:21692669 PMID:22090117 PMID:22118500 PMID:22064539 PMID:25017682 PMID:24651825 PMID:22017448 PMID:21393136 PMID:24419064 PMID:21383098 Reaxys:10131963 Wikipedia:Maraviroc PMID:24652492 PMID:22236118 PMID:22247337 PMID:21505306 CAS:376348-65-1 PMID:21987241 PMID:22034870 PMID:22174038 PMID:21595497 DrugBank:DB04835
|
|
| definition |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the primary amino group of (1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylamine. An antiretroviral drug, it prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells.
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|
| formula |
C29H41F2N5O
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|
| has characteristic | ||
| has role | ||
| has_exact_synonym |
4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
maravirocum maraviroc
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|
| has_RxCUI |
620216
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|
| id |
CHEBI:63608
|
|
| in_subset | ||
| inchi |
InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1
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| inchikey |
GSNHKUDZZFZSJB-QYOOZWMWSA-N
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|
| label |
maraviroc
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|
| mass |
513.66550
|
|
| monoisotopicmass |
513.32792
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|
| notation |
CHEBI:63608
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|
| prefLabel |
maraviroc
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|
| smiles |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_38295 |
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