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CHEBI:231702 - tirbanibulin

ChEBI IDCHEBI:231702
ChEBI Nametirbanibulin
Stars
DefinitionA member of the class of pyridines that is pyridine substituted by 2-(benzylamino)-2-oxoethyl and 4-[2-(morpholin-4-yl)ethoxy]phenyl groups at positions 2 and 5, respectively. It is a dual inhibitor of Src kinase and tubulin and approved by the FDA for the topical treatment of actinic keratosis on the face or scalp.
Last Modified13 September 2024
Submitteramillett1
DownloadsMolfile
FormulaC26H29N3O3
Net Charge0
Average Mass431.536
Monoisotopic Mass431.22089
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
InChIKeyHUNGUWOZPQBXGX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tirbanibulin (CHEBI:231702) has role antineoplastic agent (CHEBI:35610)
tirbanibulin (CHEBI:231702) has role apoptosis inducer (CHEBI:68495)
tirbanibulin (CHEBI:231702) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
tirbanibulin (CHEBI:231702) has role microtubule-destabilising agent (CHEBI:61951)
tirbanibulin (CHEBI:231702) is a aromatic ether (CHEBI:35618)
tirbanibulin (CHEBI:231702) is a morpholines (CHEBI:38785)
tirbanibulin (CHEBI:231702) is a pyridines (CHEBI:26421)
tirbanibulin (CHEBI:231702) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-benzyl-2-(5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridin-2-yl)acetamide
INNs  Source
tirbanibulinWHO MedNet
tirbanibulinaWHO MedNet
tirbanibulineWHO MedNet
tirbanibulinumWHO MedNet
Synonyms  Source
KX2-391SUBMITTER
N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamideSUBMITTER
KX-01SUBMITTER
KX 01ChEBI
5-[4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)-2-pyridineacetamideChEBI
KX01ChEBI
Brand Name  Source
KlisyriKEGG DRUG
Manual XrefsDatabases
DB06137DrugBank
HMDB0304857HMDB
D11691KEGG DRUG
TirbanibulinWikipedia
DN0PDBeChem
Registry NumbersSources
CAS:897016-82-9KEGG DRUG
Citations