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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:clobenpropit
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Accession:CHEBI:64177 term browser browse the term
Definition:An imidothiocarbamic ester that consists of isothiourea bearing S-3-(imidazol-4-yl)propyl and N-4-chlorobenzyl substituents. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM.
Synonyms:exact_synonym: 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate
 related_synonym: Formula=C14H17ClN4S;   InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);   InChIKey=UCAIEVHKDLMIFL-UHFFFAOYSA-N;   S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea;   SMILES=Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
 xref: CAS:145231-45-4;   KEGG:C17934;   LINCS:LSM-3600
 xref_mesh: MESH:C086108
 xref: PMID:19895842;   PMID:20014479;   PMID:20093321;   PMID:20197375;   PMID:20432621;   PMID:20511290;   PMID:21134907;   PMID:21272571;   PMID:21554104;   PMID:21793031;   PMID:22003888;   PMID:22005500;   PMID:22011436;   PMID:22115898;   PMID:22331799;   Reaxys:5822910;   Wikipedia:Clobenpropit
 cyclic_relationship: is_conjugate_base_of CHEBI:64193


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clobenpropit term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb2 adrenoceptor beta 2 multiple interactions ISO clobenpropit promotes the reaction [Isoproterenol results in increased activity of ADRB2 protein] CTD PMID:17196553 NCBI chr18:57,513,792...57,515,834
Ensembl chr18:57,513,793...57,515,834
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 decreases expression ISO clobenpropit results in decreased expression of CCL2 protein CTD PMID:17507084 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Ccnd1 cyclin D1 multiple interactions ISO [HRH4 protein results in increased susceptibility to clobenpropit] which results in decreased expression of CCND1 protein CTD PMID:22363581 NCBI chr 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325
JBrowse link
G Cdk2 cyclin dependent kinase 2 multiple interactions ISO [HRH4 protein results in increased susceptibility to clobenpropit] which results in decreased expression of CDK2 protein CTD PMID:22363581 NCBI chr 7:3,124,953...3,132,533
Ensembl chr 7:3,124,954...3,132,457
JBrowse link
G Cdkn1a cyclin-dependent kinase inhibitor 1A multiple interactions ISO [HRH4 protein results in increased susceptibility to clobenpropit] which results in increased expression of CDKN1A protein CTD PMID:22363581 NCBI chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864
JBrowse link
G Cdkn1b cyclin-dependent kinase inhibitor 1B multiple interactions ISO [HRH4 protein results in increased susceptibility to clobenpropit] which results in increased expression of CDKN1B protein CTD PMID:22363581 NCBI chr 4:168,689,043...168,694,159
Ensembl chr 4:168,689,163...168,693,964
JBrowse link
G Hrh1 histamine receptor H 1 multiple interactions EXP [Pyrilamine binds to and results in decreased activity of HRH1 protein] which results in decreased susceptibility to clobenpropit CTD PMID:16488453 NCBI chr 4:146,374,596...146,458,148
Ensembl chr 4:146,455,332...146,457,074
JBrowse link
G Hrh2 histamine receptor H 2 multiple interactions ISO
EXP
HRH2 protein promotes the reaction [clobenpropit results in increased expression of IL16 protein]
[Cimetidine binds to and results in decreased activity of HRH2 protein] which results in decreased susceptibility to clobenpropit
CTD PMID:12235264, PMID:16488453 NCBI chr17:10,912,959...10,931,389
Ensembl chr17:10,921,507...10,952,441
JBrowse link
G Hrh3 histamine receptor H3 multiple interactions
affects binding
ISO
EXP
clobenpropit binds to and results in decreased activity of HRH3 protein; clobenpropit inhibits the reaction [[Methylhistamines binds to and results in increased activity of HRH3 protein] which results in increased transport of Calcium]
clobenpropit analog binds to HRH3 protein; clobenpropit binds to HRH3 protein
[4-(1H-imidazol-4-ylmethyl)piperidine binds to and results in increased activity of HRH3 protein] which results in decreased susceptibility to clobenpropit; [clobenpropit binds to and results in decreased activity of HRH3 protein] which results in decreased susceptibility to Scopolamine; clobenpropit binds to and results in decreased activity of HRH3 protein
CTD PMID:12706455, PMID:16488453, PMID:22003888 NCBI chr 3:175,474,310...175,479,395
Ensembl chr 3:175,473,078...175,479,395
JBrowse link
G Hrh4 histamine receptor H4 multiple interactions
affects binding
increases response to substance
ISO 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine inhibits the reaction [[clobenpropit binds to and results in increased activity of HRH4 protein] which results in increased abundance of Calcium]; 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine inhibits the reaction [HRH4 protein results in increased susceptibility to clobenpropit]; [clobenpropit binds to and results in increased activity of HRH4 protein] which results in increased abundance of Calcium; [HRH4 protein results in increased susceptibility to clobenpropit] which results in decreased expression of CCND1 protein; [HRH4 protein results in increased susceptibility to clobenpropit] which results in decreased expression of CDK2 protein; [HRH4 protein results in increased susceptibility to clobenpropit] which results in increased expression of CDKN1A protein; [HRH4 protein results in increased susceptibility to clobenpropit] which results in increased expression of CDKN1B protein; clobenpropit binds to and results in increased activity of HRH4 protein
clobenpropit binds to HRH4 protein
CTD PMID:17507084, PMID:22003888, PMID:22363581 NCBI chr18:4,365,429...4,382,599
Ensembl chr18:4,365,429...4,382,599
JBrowse link
G Ifng interferon gamma affects expression ISO clobenpropit affects the expression of IFNG protein CTD PMID:17346280 NCBI chr 7:61,337,383...61,341,419
Ensembl chr 7:61,337,381...61,341,419
JBrowse link
G Il16 interleukin 16 multiple interactions
increases expression
ISO HRH2 protein promotes the reaction [clobenpropit results in increased expression of IL16 protein] CTD PMID:12235264 NCBI chr 1:145,781,923...145,881,538
Ensembl chr 1:145,781,928...145,870,912
JBrowse link
G Il5 interleukin 5 affects expression ISO clobenpropit affects the expression of IL5 protein CTD PMID:17346280 NCBI chr10:39,066,716...39,069,587
Ensembl chr10:39,066,716...39,069,587
JBrowse link
G Slc22a3 solute carrier family 22 member 3 multiple interactions EXP
ISO
clobenpropit inhibits the reaction [SLC22A3 protein results in increased uptake of 1-Methyl-4-phenylpyridinium] CTD PMID:12411423 NCBI chr 1:48,433,079...48,521,261
Ensembl chr 1:48,433,079...48,521,256
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        pharmacological role 18793
          antagonist 16194
            histamine antagonist 4602
              H3-receptor antagonist 14
                clobenpropit 14
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                organic heterocyclic compound 18407
                                  heteroarene 16445
                                    monocyclic heteroarene 13300
                                      azole 12468
                                        diazole 8124
                                          imidazoles 7654
                                            clobenpropit 14
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