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The Drug-Drug Interactions Ontology
| Preferred Name | bosutinib | |
| Synonyms |
SKI 606 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile C26H29Cl2N5O3 Bosutinib SKI-606 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_39112 |
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| AHFScode |
10:00
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|
| ATCCode |
L01XE14
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|
| binds |
http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_0119 http://purl.obolibrary.org/obo/dinto_0739 http://purl.obolibrary.org/obo/dinto_2203 http://purl.obolibrary.org/obo/dinto_2311 http://purl.obolibrary.org/obo/dinto_1775 http://purl.obolibrary.org/obo/dinto_1773 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_4080 http://purl.obolibrary.org/obo/dinto_1764 |
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| CASRN |
380843-75-4
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|
| DBBrand |
bosulif
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|
| DBSynonym |
ski-606 bosutinib monohydrate bosulif?
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|
| Definition |
Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012. An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.
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|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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|
| InChIKey |
InChIKey=UBPYILGKFZZVDX-UHFFFAOYNA-N InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N
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| inhibits |
http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_0119 http://purl.obolibrary.org/obo/dinto_0739 http://purl.obolibrary.org/obo/dinto_2203 http://purl.obolibrary.org/obo/dinto_2311 http://purl.obolibrary.org/obo/dinto_1775 http://purl.obolibrary.org/obo/dinto_1773 http://purl.obolibrary.org/obo/dinto_1440 |
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| is metabolised by | ||
| is substrate of | ||
| is transported by | ||
| label |
bosutinib
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|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_4551 http://purl.obolibrary.org/obo/CHEBI_68642 http://purl.obolibrary.org/obo/CHEBI_6375 |
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| prefixIRI |
obo2:CHEBI_39112
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|
| prefLabel |
bosutinib
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|
| related with | ||
| SMILES |
COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
|
|
| Synonym |
SKI 606 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile C26H29Cl2N5O3 Bosutinib SKI-606 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile
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|
| xref |
CiteXplore:21700731 CiteXplore:22471705 CiteXplore:22937303 National Drug Code Directory:0069-0136-01 CiteXplore:22037769 Wikipedia:Bosutinib CiteXplore:21865346 CASRN:380843-75-4 Beilstein:9100307 PDBeChem:DB8 CiteXplore:22493660 ChEBI:39112 CiteXplore:19509264 CiteXplore:22915985 CiteXplore:22311495 Wikipedia:http://en.wikipedia.org/wiki/Bosutinib CiteXplore:22949154 CiteXplore:19039322 CiteXplore:21691746 CiteXplore:22065400 CiteXplore:21148045 CiteXplore:22425385 CiteXplore:22036634 RxList:http://www.rxlist.com/bosulif-drug.htm Reaxys:9100307 ChEMBL:162111 CiteXplore:21680801 CiteXplore:22179664 CiteXplore:21544849 CiteXplore:22271876 Drugs.com:http://www.drugs.com/cdi/bosutinib.html CiteXplore:22031512 CiteXplore:22371878 CiteXplore:18483306 KEGG DRUG:D03252 CiteXplore:22830347 CiteXplore:22588706 CiteXplore:22884766 CiteXplore:22462037
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| subClassOf |
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