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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 Ca3 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
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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
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      application 19471
        pharmaceutical 19319
          drug 19319
            cardiovascular drug 7679
              antihypertensive agent 1848
                dorzolamide 2
                  dorzolamide hydrochloride 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      chalcogen 19460
                        oxygen atom 19436
                          oxygen molecular entity 19436
                            hydroxides 19175
                              oxoacid 18488
                                chalcogen oxoacid 11491
                                  sulfur oxoacid 11099
                                    sulfonic acid 7367
                                      sulfonic acid derivative 7367
                                        sulfonamide 3193
                                          dorzolamide 2
                                            dorzolamide hydrochloride 2
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