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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:dorzolamide
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Accession:CHEBI:4702 term browser browse the term
Definition:5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.
Synonyms:related_synonym: (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;   (4S,6S)-4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;   4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda6-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   4S,6S-dorzolamide;   Formula=C10H16N2O4S3;   InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1;   InChIKey=IAVUPMFITXYVAF-XPUUQOCRSA-N;   SMILES=CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
 alt_id: CHEBI:101089;   CHEBI:105798;   CHEBI:42295
 xref: Beilstein:5910880;   CAS:120279-96-1;   DrugBank:DB00869;   Drug_Central:949;   KEGG:C06969;   KEGG:D07871;   LINCS:LSM-5597;   PDBeChem:ETS;   PMID:10762051;   PMID:11229775;   PMID:11425561;   PMID:11906288;   PMID:14611846;   PMID:14684332;   Patent:EP296879;   Patent:US4797413;   Wikipedia:Dorzolamide



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dorzolamide hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Car2 carbonic anhydrase 2 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA2 protein CTD PMID:17826101 NCBI chr 2:86,741,625...86,756,766
Ensembl chr 2:86,741,626...86,756,818
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G Car3 carbonic anhydrase 3 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA3 protein CTD PMID:17826101 NCBI chr 2:86,770,418...86,780,011
Ensembl chr 2:86,770,420...86,784,280
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        pharmaceutical 19525
          drug 19525
            cardiovascular drug 8642
              antihypertensive agent 1946
                dorzolamide 2
                  dorzolamide hydrochloride 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      chalcogen 19563
                        oxygen atom 19535
                          oxygen molecular entity 19535
                            hydroxides 19341
                              oxoacid 18777
                                chalcogen oxoacid 13781
                                  sulfur oxoacid 13570
                                    sulfonic acid 11616
                                      sulfonic acid derivative 11616
                                        sulfonamide 5307
                                          dorzolamide 2
                                            dorzolamide hydrochloride 2
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