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CHEBI:39112 - bosutinib
| Formula | C26H29Cl2N5O3 |
| Net Charge | 0 |
| Average Mass | 530.456 |
| Monoisotopic Mass | 529.16475 |
| SMILES | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl |
| InChI | 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) |
| InChIKey | UBPYILGKFZZVDX-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| bosutinib (CHEBI:39112) has role antineoplastic agent (CHEBI:35610) |
| bosutinib (CHEBI:39112) has role tyrosine kinase inhibitor (CHEBI:38637) |
| bosutinib (CHEBI:39112) is a N-methylpiperazine (CHEBI:46920) |
| bosutinib (CHEBI:39112) is a aminoquinoline (CHEBI:36709) |
| bosutinib (CHEBI:39112) is a aromatic ether (CHEBI:35618) |
| bosutinib (CHEBI:39112) is a dichlorobenzene (CHEBI:23697) |
| bosutinib (CHEBI:39112) is a nitrile (CHEBI:18379) |
| bosutinib (CHEBI:39112) is a tertiary amino compound (CHEBI:50996) |
| Incoming Relation(s) |
| bosutinib hydrate (CHEBI:68533) has part bosutinib (CHEBI:39112) |
| IUPAC Name |
|---|
| 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile |
| Synonyms | Source |
|---|---|
| Bosutinib | KEGG DRUG |
| SKI-606 | ChemIDplus |
| SKI 606 | ChemIDplus |
| 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile | ChemIDplus |
| Citations |
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