CHEBI:231412 - pacritinib citrate

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ChEBI Name pacritinib citrate
ChEBI ID CHEBI:231412
Definition The citrate salt of pacritinib.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32N4O3.C6H8O7
Net Charge 0
Average Mass 664.712
Monoisotopic Mass 664.27444
InChI InChI=1S/C28H32N4O3.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b4-3+;
InChIKey BAHHBHSHSRTKNK-BJILWQEISA-N
SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=CC(=C3)C3=CC=NC(NC(C=C1)=C2)=N3
Roles Classification
Biological Role(s): 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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pacritinib citrate (CHEBI:231412) has part pacritinib(1+) (CHEBI:231411)
pacritinib citrate (CHEBI:231412) has role antineoplastic agent (CHEBI:35610)
pacritinib citrate (CHEBI:231412) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
pacritinib citrate (CHEBI:231412) is a citrate salt (CHEBI:50744)
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 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms Sources
(2E,16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27- triazatetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2,4,6,8,10,12(26),16,21,23-decaene citrate ChEBI
pacritinib (citrate) ChEBI
SB 1518 citrate ChEBI
SB-1518 citrate ChEBI
SB1518 citrate ChEBI
Brand Name Source
Vonjo ChEBI
Registry Number Type Source
1228923-42-9 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
27931243 PubMed citation Europe PMC
35527647 PubMed citation Europe PMC
35567653 PubMed citation Europe PMC
Last Modified
10 May 2024