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)-esmolol
Accession: CHEBI:60074
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Definition: A methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate that has R configuration. The drug esmolol is a racemate comprising equimolar amounts of (R)- and (S)-esmolol. While the S enantiomer possesses all of the heart rate control, both the R and the S enantiomer contribute to lowering blood pressure.
Synonyms: exact_synonym: methyl 3-(4-{[(2R)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)propanoate
related_synonym: Formula=C16H25NO4; InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/t14-/m1/s1; InChIKey=AQNDDEOPVVGCPG-CQSZACIVSA-N; SMILES=COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1
xref: PMID:15135097; PMID:15163527; PMID:20708984; PMID:25105423
cyclic_relationship: is_enantiomer_of CHEBI:60075
G
Abcb4
ATP binding cassette subfamily B member 4
decreases activity
ISO
esmolol 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
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Bmp6
bone morphogenetic protein 6
increases expression
ISO
esmolol results in increased expression of BMP6 mRNA
CTD
PMID:32816093
NCBI chr17:26,318,121...26,469,691
Ensembl chr17:26,318,569...26,470,365
G
Ereg
epiregulin
increases expression
ISO
esmolol results in increased expression of EREG mRNA
CTD
PMID:32816093
NCBI chr14:17,027,287...17,041,062
Ensembl chr14:17,027,287...17,041,062
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Hmox1
heme oxygenase 1
multiple interactions
EXP
esmolol inhibits the reaction [Dobutamine results in increased expression of HMOX1 protein]
CTD
PMID:16627864
NCBI chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
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Il1a
interleukin 1 alpha
increases expression
ISO
esmolol 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
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Il1b
interleukin 1 beta
increases expression
ISO
esmolol 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
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Il24
interleukin 24
increases expression
ISO
esmolol 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
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Met
MET proto-oncogene, receptor tyrosine kinase
increases expression
ISO
esmolol results in increased expression of MET mRNA
CTD
PMID:32816093
NCBI chr 4:45,790,456...45,898,139
Ensembl chr 4:45,790,791...45,897,876
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Pid1
phosphotyrosine interaction domain containing 1
increases expression
ISO
esmolol results in increased expression of PID1 mRNA
CTD
PMID:32816093
NCBI chr 9:85,284,335...85,503,035
Ensembl chr 9:85,284,335...85,503,044
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Ptgs2
prostaglandin-endoperoxide synthase 2
increases expression
ISO
esmolol results in increased expression of PTGS2 mRNA
CTD
PMID:32816093
NCBI chr13:62,163,936...62,172,193
Ensembl chr13:62,163,932...62,172,188
G
Ren
renin
multiple interactions
ISO
esmolol inhibits the reaction [Nitroprusside results in increased activity of REN protein]
CTD
PMID:2569849
NCBI chr13:44,796,260...44,807,491
Ensembl chr13:44,796,091...44,807,489
G
Slpi
secretory leukocyte peptidase inhibitor
increases expression
ISO
esmolol results in increased expression of SLPI mRNA
CTD
PMID:32816093
NCBI chr 3:153,082,208...153,084,457
Ensembl chr 3:153,082,369...153,084,453
G
Tnfaip6
TNF alpha induced protein 6
increases expression
ISO
esmolol results in increased expression of TNFAIP6 mRNA
CTD
PMID:32816093
NCBI chr 3:36,502,250...36,521,652
Ensembl chr 3:36,502,188...36,521,649
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