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CHEBI:156287 - CX-5461

ChEBI IDCHEBI:156287
ChEBI NameCX-5461
Stars
DefinitionAn organic heterotetracyclic compound that is 5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid substituted by a 4-methyl-1,4-diazepan-1-yl group at position 2 and in which the carboxy group at position 6 is substituted by a [(5-methylpyrazin-2-yl)methyl]nitrilo group. An inhibitor of ribosomal RNA (rRNA) synthesis which specifically inhibits RNA polymerase I-driven transcription of rRNA in several cancer cell lines. It is currently in phase I/II clinical trials for advanced hematologic malignancies and triple-negative breast cancer with BRCA1/2 mutation.
Secondary ChEBI IDCHEBI:95090
Last Modified10 August 2020
SubmitterKYook
DownloadsMolfile
FormulaC27H27N7O2S
Net Charge0
Average Mass513.627
Monoisotopic Mass513.19469
SMILESCc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1
InChIInChI=1S/C27H27N7O2S/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36)
InChIKeyXGPBJCHFROADCK-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.7.7.6 (RNA polymerase) inhibitor  An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CX-5461 (CHEBI:156287) has role antineoplastic agent (CHEBI:35610)
CX-5461 (CHEBI:156287) has role apoptosis inducer (CHEBI:68495)
CX-5461 (CHEBI:156287) has role EC 2.7.7.6 (RNA polymerase) inhibitor (CHEBI:37416)
CX-5461 (CHEBI:156287) is a diazepine (CHEBI:47918)
CX-5461 (CHEBI:156287) is a naphthyridine derivative (CHEBI:73539)
CX-5461 (CHEBI:156287) is a organic heterotetracyclic compound (CHEBI:38163)
CX-5461 (CHEBI:156287) is a pyrazines (CHEBI:38314)
CX-5461 (CHEBI:156287) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
Synonyms  Source
2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamideChEBI
CX5461ChEBI
CX 5461ChemIDplus
Manual XrefsDatabases
LSM-6342LINCS
Registry NumbersSources
CAS:1138549-36-6ChemIDplus
Citations