imatinib

CHEBI:CHEBI_45783

Definition

A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.

Chemical Information

Molecular Formula
C29H31N7O
Molecular Mass
493.60270
Charge
0
SMILES
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
InChI
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChIKey
KTUFNOKKBVMGRW-UHFFFAOYSA-N

Alternative Names

  • 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
  • 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
  • alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
  • imatinib
  • STI 571

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
282388
oboInOwl#hasDbXref
Wikipedia:Imatinib
core#notation
CHEBI:45783

Additional References

Wikipedia:Imatinib

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

has_treatment
http://purl.obolibrary.org/obo/DOID_2668
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
282388
oboInOwl#hasDbXref
Wikipedia:Imatinib
oboInOwl#hasAlternativeId
CHEBI:45781
oboInOwl#id
CHEBI:45783
core#notation
CHEBI:45783
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_68495
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_28179
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_111447
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect24598
owl#annotatedSource
t221501
owl#someValuesFrom
t947388