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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:maraviroc
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Accession:CHEBI:63608 term browser browse the term
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.
Synonyms: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
 related_synonym: Formula=C29H41F2N5O;   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;   InChIKey=GSNHKUDZZFZSJB-QYOOZWMWSA-N;   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;   maravirocum
 xref: CAS:376348-65-1;   DrugBank:DB04835;   KEGG:D06670
 xref_mesh: MESH:C502411
 xref: PMID:21134404;   PMID:21383098;   PMID:21393136;   PMID:21505306;   PMID:21595497;   PMID:21692669;   PMID:21987241;   PMID:22017448;   PMID:22034870;   PMID:22064539;   PMID:22090117;   PMID:22118500;   PMID:22174038;   PMID:22236118;   PMID:22247337;   PMID:24419064;   PMID:24651825;   PMID:24652492;   PMID:25017682;   Reaxys:10131963;   Wikipedia:Maraviroc


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maraviroc term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Actn2 actinin alpha 2 multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of ACTN2 mRNA; [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of ACTN2 protein CTD PMID:31023824 NCBI chr17:66,304,530...66,397,647
Ensembl chr17:66,304,501...66,397,653
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 multiple interactions ISO maraviroc inhibits the reaction [CCL3 protein binds to CCR5 protein] CTD PMID:15644495 NCBI chr10:70,869,516...70,871,066
Ensembl chr10:70,869,513...70,871,066
JBrowse link
G Ccl5 C-C motif chemokine ligand 5 multiple interactions ISO maraviroc inhibits the reaction [CCL5 protein binds to CCR5 protein] CTD PMID:15644495 NCBI chr10:70,739,764...70,744,303
Ensembl chr10:70,739,800...70,744,315
JBrowse link
G Ccr5 C-C motif chemokine receptor 5 multiple interactions ISO maraviroc binds to and results in decreased activity of CCR5 protein; maraviroc inhibits the reaction [CCL3 protein binds to CCR5 protein]; maraviroc inhibits the reaction [CCL5 protein binds to CCR5 protein] CTD PMID:15644495 PMID:21128663 NCBI chr 8:133,192,398...133,215,599
Ensembl chr 8:133,197,032...133,215,614
JBrowse link
G Col1a1 collagen type I alpha 1 chain multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in decreased expression of COL1A1 mRNA CTD PMID:31023824 NCBI chr10:82,745,801...82,762,790
Ensembl chr10:82,745,801...82,762,789
JBrowse link
G Col1a2 collagen type I alpha 2 chain multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in decreased expression of COL1A2 mRNA CTD PMID:31023824 NCBI chr 4:31,534,225...31,569,152
Ensembl chr 4:31,534,225...31,569,151
JBrowse link
G Myh6 myosin heavy chain 6 multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of MYH6 mRNA CTD PMID:31023824 NCBI chr15:33,605,653...33,629,730
Ensembl chr15:33,605,654...33,629,699
JBrowse link
G Ryr2 ryanodine receptor 2 multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of RYR2 mRNA CTD PMID:31023824 NCBI chr17:65,533,998...65,955,606
Ensembl chr17:65,535,403...65,955,606
JBrowse link
G Tnnt2 troponin T2, cardiac type multiple interactions ISO [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of TNNT2 mRNA; [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of TNNT2 protein CTD PMID:31023824 NCBI chr13:52,662,974...52,680,992
Ensembl chr13:52,662,996...52,680,990
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      biological role 19732
        antimicrobial agent 17389
          antiviral agent 10298
            antiviral drug 1854
              maraviroc 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        carboacyl group 17441
                                          univalent carboacyl group 17441
                                            carbamoyl group 17248
                                              carboxamide 17248
                                                monocarboxylic acid amide 14868
                                                  maraviroc 9
paths to the root