Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U4CE
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| Former ID |
DAP000030
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| Drug Name |
Bosentan
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| Synonyms |
Actelion; Bosentanum; Tracleer; Bosentan (INN); KS-5062; Ro 47-0203; Tracleer (TN); Bosentan [USAN:INN:BAN]; Ro 47-0203/039; Ro-47-0203; Ro-47-0203/029; Ro-47-0203/039; P-tert-Butyl-N-[6-(2-hydroxyethoxy); P-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide; 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
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| Drug Type |
Small molecular drug
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| Indication | Pulmonary arterial hypertension [ICD-11: BB01.0; ICD-9: 416] | Approved | [1], [2] | |
| Therapeutic Class |
Antihypertensive Agents
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| Company |
Actelion Pharmaceuticals
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| Structure |
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Download2D MOL |
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| Formula |
C27H29N5O6S
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| Canonical SMILES |
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
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| InChI |
1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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| InChIKey |
GJPICJJJRGTNOD-UHFFFAOYSA-N
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| CAS Number |
CAS 147536-97-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7978805, 10233650, 12014838, 14763764, 44434454, 46507154, 47285934, 48179783, 49831038, 49881484, 50112694, 50840650, 51091861, 53787963, 56464382, 57337889, 85209778, 92309270, 92714194, 93581179, 93619683, 103250068, 103956688, 104179184, 104373115, 118855338, 125341362, 126592988, 126624339, 126655593, 126671144, 127344134, 127344135, 127344136, 127963291, 131299472, 134337358, 134339787, 135143300, 135723687, 137003210, 142094009, 143493318, 144115748, 144205997, 151991482, 152237729, 152258948, 160647793, 160963904
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| ChEBI ID |
CHEBI:51450
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| ADReCS Drug ID | BADD_D00285 | |||
| SuperDrug ATC ID |
C02KX01
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| SuperDrug CAS ID |
cas=147536978
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Abundace of Studied Microbe(s) Regulated by Drug | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia obeum
Show/Hide Hierarchy
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[3] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Blautia obeum was decreased by Bosentan (adjusted p-values: 2.36E-05). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin A receptor (EDNRA) | Target Info | Modulator | [4] |
| Endothelin B receptor (EDNRB) | Target Info | Modulator | [4] | |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Renin secretion | ||||
| Pathways in cancer | ||||
| Melanogenesis | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Endothelin signaling pathway | |||
| Pathway Interaction Database | Endothelins | |||
| EGFR-dependent Endothelin signaling events | ||||
| Arf6 trafficking events | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
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| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3494). | |||
| REF 2 | Optimizing endothelin receptor antagonist use in the management of pulmonary arterial hypertension. Vasc Health Risk Manag. 2008;4(5):943-52. | |||
| REF 3 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 4 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. | |||
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