ONTOLOGY REPORT - ANNOTATIONS |
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Term: | nelfinavir |
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Accession: | CHEBI:7496
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browse the term
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Definition: | An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. |
Synonyms: | exact_synonym: | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
| related_synonym: | Formula=C32H45N3O4S; 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; InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N; 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 |
| xref: | CAS:159989-64-7 "ChemIDplus"; CAS:159989-64-7 "KEGG COMPOUND"; DrugBank:DB00220; Drug_Central:1893 "DrugCentral"; HMDB:HMDB0014365; KEGG:C07257; KEGG:D08259; LINCS:LSM-5819 |
| xref_mesh: | MESH:D019888 |
| xref: | PDBeChem:1UN; PMID:23109184 "Europe PMC"; PMID:23386514 "Europe PMC"; PMID:23454896 "Europe PMC"; PMID:23647753 "Europe PMC"; PMID:23872785 "Europe PMC"; PMID:23916134 "Europe PMC"; PMID:24194293 "Europe PMC"; PMID:24418752 "Europe PMC"; PMID:24483157 "Europe PMC"; PMID:24498124 "Europe PMC"; PMID:24574416 "Europe PMC"; PMID:24596143 "Europe PMC"; PMID:24719428 "Europe PMC"; Reaxys:7419619 "Reaxys"; Wikipedia:Nelfinavir |
| cyclic_relationship: | is_conjugate_base_of CHEBI:78767 |
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G |
Abcb11 |
ATP binding cassette subfamily B member 11 |
|
3 |
55,480,024 |
55,587,946 |
RGD:6480464 |
G |
Abcb1a |
ATP binding cassette subfamily B member 1A |
|
4 |
22,339,829 |
22,517,642 |
RGD:6480464 |
G |
Abcc1 |
ATP binding cassette subfamily C member 1 |
|
10 |
549,537 |
672,235 |
RGD:6480464 |
G |
Abcc2 |
ATP binding cassette subfamily C member 2 |
|
1 |
263,554,426 |
263,612,556 |
RGD:6480464 |
G |
Abcg2 |
ATP binding cassette subfamily G member 2 |
|
4 |
88,765,441 |
88,890,268 |
RGD:6480464 |
G |
Adipoq |
adiponectin, C1Q and collagen domain containing |
|
11 |
81,330,845 |
81,344,488 |
RGD:6480464 |
G |
Aifm1 |
apoptosis inducing factor, mitochondria associated 1 |
|
X |
135,304,063 |
135,343,062 |
RGD:6480464 |
G |
Alb |
albumin |
|
14 |
19,176,275 |
19,191,793 |
RGD:6480464 |
G |
Atf3 |
activating transcription factor 3 |
|
13 |
109,817,892 |
109,849,632 |
RGD:6480464 |
G |
Atf4 |
activating transcription factor 4 |
|
7 |
121,480,723 |
121,482,781 |
RGD:6480464 |
G |
Atf6 |
activating transcription factor 6 |
|
13 |
89,053,457 |
89,242,531 |
RGD:6480464 |
G |
Casp3 |
caspase 3 |
|
16 |
48,845,011 |
48,863,249 |
RGD:6480464 |
G |
Casp7 |
caspase 7 |
|
1 |
277,190,557 |
277,242,779 |
RGD:6480464 |
G |
Casp8 |
caspase 8 |
|
9 |
65,614,142 |
65,662,624 |
RGD:6480464 |
G |
Casp9 |
caspase 9 |
|
5 |
160,356,211 |
160,373,774 |
RGD:6480464 |
G |
Ccl2 |
C-C motif chemokine ligand 2 |
|
10 |
69,412,065 |
69,413,863 |
RGD:6480464 |
G |
Ccl3 |
C-C motif chemokine ligand 3 |
|
10 |
70,869,516 |
70,871,066 |
RGD:6480464 |
G |
Ccnd3 |
cyclin D3 |
|
9 |
15,404,816 |
15,410,905 |
RGD:6480464 |
G |
Cdc25a |
cell division cycle 25A |
|
8 |
117,953,223 |
117,971,552 |
RGD:6480464 |
G |
Cdk2 |
cyclin dependent kinase 2 |
|
7 |
3,124,953 |
3,132,533 |
RGD:6480464 |
G |
Cycs |
cytochrome c, somatic |
|
4 |
80,331,226 |
80,333,326 |
RGD:6480464 |
G |
Cyp1a1 |
cytochrome P450, family 1, subfamily a, polypeptide 1 |
|
8 |
62,472,087 |
62,478,122 |
RGD:6480464 |
G |
Cyp3a23/3a1 |
cytochrome P450, family 3, subfamily a, polypeptide 23/polypeptide 1 |
|
12 |
11,053,888 |
11,082,742 |
RGD:6480464 |
G |
Cyp3a9 |
cytochrome P450, family 3, subfamily a, polypeptide 9 |
|
12 |
19,074,288 |
19,114,491 |
RGD:6480464 |
G |
Ddit3 |
DNA-damage inducible transcript 3 |
|
7 |
70,578,564 |
70,585,074 |
RGD:6480464 |
G |
Eif2a |
eukaryotic translation initiation factor 2A |
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2 |
148,722,343 |
148,755,781 |
RGD:6480464 |
G |
Fasn |
fatty acid synthase |
|
10 |
109,987,735 |
110,005,901 |
RGD:6480464 |
G |
Hmox1 |
heme oxygenase 1 |
|
19 |
14,508,634 |
14,515,455 |
RGD:6480464 |
G |
Hspa5 |
heat shock protein family A (Hsp70) member 5 |
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3 |
13,838,304 |
13,842,763 |
RGD:6480464 |
G |
Il1b |
interleukin 1 beta |
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3 |
121,876,256 |
121,882,637 |
RGD:6480464 |
G |
Il6 |
interleukin 6 |
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4 |
3,043,231 |
3,047,807 |
RGD:6480464 |
G |
Inhbe |
inhibin subunit beta E |
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7 |
70,641,423 |
70,642,848 |
RGD:6480464 |
G |
Lep |
leptin |
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4 |
56,337,695 |
56,351,818 |
RGD:6480464 |
G |
Lpl |
lipoprotein lipase |
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16 |
22,537,687 |
22,561,487 |
RGD:6480464 |
G |
Map1lc3b |
microtubule-associated protein 1 light chain 3 beta |
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19 |
53,635,449 |
53,643,970 |
RGD:6480464 |
G |
Mbtps2 |
membrane-bound transcription factor peptidase, site 2 |
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X |
40,258,933 |
40,309,047 |
RGD:6480464 |
G |
Mcl1 |
MCL1 apoptosis regulator, BCL2 family member |
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2 |
197,786,212 |
197,788,992 |
RGD:6480464 |
G |
Me1 |
malic enzyme 1 |
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8 |
94,256,830 |
94,368,834 |
RGD:6480464 |
G |
Nr1i2 |
nuclear receptor subfamily 1, group I, member 2 |
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11 |
65,022,100 |
65,058,546 |
RGD:6480464 |
G |
Pcna |
proliferating cell nuclear antigen |
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3 |
124,880,698 |
124,884,570 |
RGD:6480464 |
G |
Plin1 |
perilipin 1 |
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1 |
141,458,907 |
141,470,927 |
RGD:6480464 |
G |
Rb1 |
RB transcriptional corepressor 1 |
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15 |
55,081,582 |
55,209,060 |
RGD:6480464 |
G |
Srebf1 |
sterol regulatory element binding transcription factor 1 |
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10 |
46,570,996 |
46,593,021 |
RGD:6480464 |
G |
Tnf |
tumor necrosis factor |
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20 |
5,189,382 |
5,192,000 |
RGD:6480464 |
G |
Ugt2b17 |
UDP glucuronosyltransferase family 2 member B17 |
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14 |
22,724,399 |
22,736,148 |
RGD:6480464 |
Term paths to the root
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