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: (R)-paliperidone palmitate
Accession: CHEBI:83810
browse the term
Definition: A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (R)-enantiomer of paliperidone palmitate.
Synonyms: exact_synonym: (9R)-3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl hexadecanoate
related_synonym: (R)-paliperidone hexadecanoate; Formula=C39H57FN4O4; InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3/t34-/m1/s1; InChIKey=VOMKSBFLAZZBOW-UUWRZZSWSA-N; SMILES=CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
cyclic_relationship: is_enantiomer_of CHEBI:83809
G
Abcb1a
ATP binding cassette subfamily B member 1A
affects abundance increases transport multiple interactions decreases activity affects response to substance increases export
ISO EXP
ABCB1 gene polymorphism affects the abundance of Paliperidone Palmitate; ABCB1 protein affects the abundance of Paliperidone Palmitate ABCB1 protein results in increased transport of Paliperidone Palmitate Paliperidone Palmitate inhibits the reaction [ABCB1 protein results in decreased export of Doxorubicin] Paliperidone Palmitate results in decreased activity of ABCB1 protein ABCB1A protein affects the susceptibility to Paliperidone Palmitate ABCB1A protein results in increased export of Paliperidone Palmitate ABCB1A protein results in increased transport of Paliperidone Palmitate Cyclosporine inhibits the reaction [ABCB1A protein results in increased export of Paliperidone Palmitate]
CTD
PMID:15502009 PMID:16118767 PMID:16810505 PMID:16936711 PMID:17541883 PMID:22691713 More...
NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
G
Abcb1b
ATP-binding cassette, sub-family B member 1B
affects response to substance
ISO
ABCB1B protein affects the susceptibility to Paliperidone Palmitate
CTD
PMID:15502009
NCBI chr 4:25,242,761...25,325,194
Ensembl chr 4:25,242,798...25,325,199
G
Abcb4
ATP binding cassette subfamily B member 4
decreases activity
ISO
Paliperidone Palmitate results in decreased activity of ABCB4 protein
CTD
PMID:28437613
NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202
G
Abcg2
ATP binding cassette subfamily G member 2
multiple interactions
ISO
Paliperidone Palmitate inhibits the reaction [ABCG2 protein results in increased transport of Mitoxantrone]
CTD
PMID:18834354
NCBI chr 4:87,676,241...87,802,757
Ensembl chr 4:87,745,319...87,802,409
G
Bdnf
brain-derived neurotrophic factor
increases expression
EXP
Paliperidone Palmitate results in increased expression of BDNF mRNA
CTD
PMID:21220416
NCBI chr 3:96,165,042...96,215,621
Ensembl chr 3:96,165,042...96,215,615
G
Cyp2d4
cytochrome P450, family 2, subfamily d, polypeptide 4
affects abundance
ISO
CYP2D6 gene polymorphism affects the abundance of Paliperidone Palmitate; CYP2D6 protein affects the abundance of Paliperidone Palmitate
CTD
PMID:10639689 PMID:15089809 PMID:17541883
NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
G
Drd2
dopamine receptor D2
multiple interactions affects binding
ISO EXP
Paliperidone Palmitate binds to and results in decreased activity of DRD2 protein Paliperidone Palmitate binds to DRD2 protein
CTD
PMID:19713555 PMID:22437487
NCBI chr 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875
G
Fads2
fatty acid desaturase 2
increases expression multiple interactions
EXP
Paliperidone Palmitate results in increased expression of FADS2 mRNA [Paliperidone Palmitate results in increased expression of FADS2 mRNA] which results in increased abundance of Fatty Acids, Unsaturated
CTD
PMID:21458237
NCBI chr 1:206,707,384...206,747,333
Ensembl chr 1:206,708,783...206,748,789
G
Htr2a
5-hydroxytryptamine receptor 2A
affects binding multiple interactions
ISO EXP
Paliperidone Palmitate binds to HTR2A protein Paliperidone Palmitate binds to and results in decreased activity of HTR2A protein
CTD
PMID:7520908 PMID:19713555 PMID:22437487
NCBI chr15:49,950,035...50,022,188
Ensembl chr15:49,950,804...50,020,928
G
Htr7
5-hydroxytryptamine receptor 7
multiple interactions
ISO
[Paliperidone Palmitate binds to and results in decreased activity of HTR7 protein] inhibits the reaction [Colforsin results in increased abundance of Cyclic AMP]; Paliperidone Palmitate binds to and results in decreased activity of HTR7 protein
CTD
PMID:18996971 PMID:19509219 PMID:20827463
NCBI chr 1:233,636,442...233,761,063
Ensembl chr 1:233,636,452...233,760,626
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Il1a
interleukin 1 alpha
increases expression
ISO
Paliperidone Palmitate results in increased expression of IL1A mRNA
CTD
PMID:32816093
NCBI chr 3:116,526,601...116,537,055
Ensembl chr 3:116,526,604...116,536,822
G
Il1b
interleukin 1 beta
increases expression
ISO
Paliperidone Palmitate results in increased expression of IL1B mRNA
CTD
PMID:32816093
NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
G
Il24
interleukin 24
increases expression
ISO
Paliperidone Palmitate results in increased expression of IL24 mRNA
CTD
PMID:32816093
NCBI chr13:42,353,089...42,358,487
Ensembl chr13:42,353,090...42,358,487
G
Kcnh2
potassium voltage-gated channel subfamily H member 2
decreases activity
ISO
Paliperidone Palmitate results in decreased activity of KCNH2 protein
CTD
PMID:21394035
NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
G
Prl
prolactin
increases expression
ISO
Paliperidone Palmitate results in increased expression of PRL protein
CTD
PMID:17460786 PMID:19825908
NCBI chr17:37,859,999...37,870,062
Ensembl chr17:37,860,007...37,870,062
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
chemical entity
19829
molecular entity
19829
polyatomic entity
19787
heteroatomic molecular entity
19743
halide
18635
organohalogen compound
18507
organofluorine compound
14658
3-\{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl\}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate
15
(R)-paliperidone palmitate
15
paliperidone palmitate
15
Path 2
CHEBI ontology
19831
subatomic particle
19829
composite particle
19829
hadron
19829
baryon
19829
nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
p-block element atom
19779
carbon group element atom
19728
carbon atom
19724
organic molecular entity
19724
heteroorganic entity
19477
organochalcogen compound
19240
organooxygen compound
19155
carbon oxoacid
18613
carboxylic acid
18610
monocarboxylic acid
17966
fatty acid
16685
fatty acid derivative
8930
fatty acid ester
3490
3-\{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl\}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate
15
(R)-paliperidone palmitate
15
paliperidone palmitate
15