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CHEBI:231350 - pacritinib

ChEBI IDCHEBI:231350
ChEBI Namepacritinib
Stars
DefinitionAn azamacrocycle with formula C28H32N4O3. It is a Janus kinase inhibitor and its citrate salt is approved for the treatment of intermediate or high risk, primary or secondary myelofibrosis.
Last Modified10 May 2024
Submitterdelphine
DownloadsMolfile
FormulaC28H32N4O3
Net Charge0
Average Mass472.589
Monoisotopic Mass472.24744
SMILESC1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1
InChIInChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
InChIKeyHWXVIOGONBBTBY-ONEGZZNKSA-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.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pacritinib (CHEBI:231350) has role anti-inflammatory agent (CHEBI:67079)
pacritinib (CHEBI:231350) has role antineoplastic agent (CHEBI:35610)
pacritinib (CHEBI:231350) has role apoptosis inducer (CHEBI:68495)
pacritinib (CHEBI:231350) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
pacritinib (CHEBI:231350) is a azamacrocycle (CHEBI:52898)
pacritinib (CHEBI:231350) is a benzenes (CHEBI:22712)
pacritinib (CHEBI:231350) is a cyclic ether (CHEBI:37407)
pacritinib (CHEBI:231350) is a pyrrolidines (CHEBI:38260)
pacritinib (CHEBI:231350) is conjugate base of pacritinib(1+) (CHEBI:231411)
Incoming Relation(s)
pacritinib(1+) (CHEBI:231411) is conjugate acid of pacritinib (CHEBI:231350)
IUPAC Name 
(16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
INNs  Source
pacritinibWHO MedNet
pacritinibWHO MedNet
pacritinibumWHO MedNet
pacritinibWHO MedNet
Synonyms  Source
SB1518DrugBank
SB-1518DrugBank
SB 1518DrugBank
(16E)-11-[2-(1-pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaeneChEBI
Manual XrefsDatabases
DB11697DrugBank
PacritinibWikipedia
D11768KEGG DRUG
6T3PDBeChem
Registry NumbersSources
CAS:937272-79-2KEGG DRUG
Citations