CHEBI:65347 - carfilzomib

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ChEBI Name carfilzomib
ChEBI ID CHEBI:65347
Definition A synthetic tetrapeptide consisting of morpholin-4-acetyl, L-2-amino-4-phenylbutanoyl, L-leucyl and L-phenylalanyl residues joined in sequence with the C-terminus connected to the amino group of (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-1-one via an amide linkage. Used for the treatment of patients with multiple myeloma
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB12520831, Selleckchem:carfilzomib-pr-171, ZINC000049841054
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Formula C40H57N5O7
Net Charge 0
Average Mass 719.911
Monoisotopic Mass 719.42580
InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
InChIKey BLMPQMFVWMYDKT-NZTKNTHTSA-N
SMILES C(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C([C@@]1(OC1)C)=O)CC(C)C)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)CCC3=CC=CC=C3)=O)N4CCOCC4
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
proteasome inhibitor
A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
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ChEBI Ontology
Outgoing carfilzomib (CHEBI:65347) has role antineoplastic agent (CHEBI:35610)
carfilzomib (CHEBI:65347) has role proteasome inhibitor (CHEBI:52726)
carfilzomib (CHEBI:65347) is a epoxide (CHEBI:32955)
carfilzomib (CHEBI:65347) is a morpholines (CHEBI:38785)
carfilzomib (CHEBI:65347) is a tetrapeptide (CHEBI:48030)
IUPAC Name
N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide
INN Source
carfilzomib KEGG DRUG
Brand Name Source
Kyprolis ChemIDplus
Manual Xrefs Databases
4483 DrugCentral
Carfilzomib Wikipedia
D08880 KEGG DRUG
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Registry Numbers Types Sources
12488950 Reaxys Registry Number Reaxys
868540-17-4 CAS Registry Number ChemIDplus
868540-17-4 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017