ChEBI Name bosutinib
ChEBI ID CHEBI:39112
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H29Cl2N5O3
Net Charge 0
Average Mass 530.44576
Monoisotopic Mass 529.165
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
SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile ChemIDplus
Bosutinib KEGG DRUG
SKI 606 ChemIDplus
SKI-606 ChemIDplus
Database Links Databases
Bosutinib Wikipedia
D03252 KEGG DRUG
DB8 PDBeChem
LSM-1190 LINCS
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Registry Numbers Types Sources
380843-75-4 CAS Registry Number ChemIDplus
9100307 Beilstein Registry Number Beilstein
9100307 Reaxys Registry Number Reaxys
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Last Modified
24 febrero 2016