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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63608
http://purl.obolibrary.org/obo/CHEBI_63608
|
|---|---|
| Preferred Name | maraviroc |
| Synonyms |
maraviroc
4,4-difluoro-N-{(1R)-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
C29H41F2N5O
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | maraviroc
|
|---|---|
| label | maraviroc
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| ATCCode | J05AX09
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| Definition | A carboxamide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the amino group of (1R)-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. 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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| has effect |
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| has pharmacological target | |
| type | |
| has role | |
| InChIKey |
InChIKey=GSNHKUDZZFZSJB-HLMSNRGBSA-N
InChIKey=GSNHKUDZZFZSJB-XDZVQPMWSA-N
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| is metabolised by | |
| blocks | |
| Synonym | maraviroc
4,4-difluoro-N-{(1R)-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
C29H41F2N5O
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
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| xref |
DrugBank:DB04835
CiteXplore:22247337
CiteXplore:21393136
CiteXplore:22090117
CiteXplore:21134404
CiteXplore:22236118
Drugs.com:http://www.drugs.com/cdi/maraviroc.html
CiteXplore:21505306
CASRN:376348-65-1
PubChem Substance:46508040
Wikipedia:http://en.wikipedia.org/wiki/Maraviroc
Reaxys:10131963
CiteXplore:22118500
IUPHAR:806
CiteXplore:22017448
ChemSpider:2273675
RxList:http://www.rxlist.com/cgi/generic/selzentry.htm
CiteXplore:22174038
PubChem Compound:3002977
KEGG DRUG:D06670
CiteXplore:21987241
CiteXplore:21595497
PharmGKB:PA164768835
National Drug Code Directory:0069-0807-60
CiteXplore:22034870
Guide To Pharmacology:806
CiteXplore:21383098
CiteXplore:22064539
CiteXplore:21692669
Wikipedia:Maraviroc
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| CASRN | 376348-65-1
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| prefixIRI | obo2:CHEBI_63608
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| SMILES |
[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1
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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| DBname | maraviroc
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| 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
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-/m1/s1
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| DBBrand |
selzentry
celsentri
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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