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CHEBI:144671 - LDC4297

ChEBI IDCHEBI:144671
ChEBI NameLDC4297
Stars
DefinitionA pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.
Last Modified30 August 2019
Submitteralison.axtman
DownloadsMolfile
FormulaC23H28N8O
Net Charge0
Average Mass432.532
Monoisotopic Mass432.23861
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
InChIInChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)
InChIKeyLSGRZENCFIIHNV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antiviral agent  A substance that destroys or inhibits replication of viruses.
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
LDC4297 (CHEBI:144671) has role antineoplastic agent (CHEBI:35610)
LDC4297 (CHEBI:144671) has role antiviral agent (CHEBI:22587)
LDC4297 (CHEBI:144671) has role apoptosis inducer (CHEBI:68495)
LDC4297 (CHEBI:144671) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
LDC4297 (CHEBI:144671) is a aromatic ether (CHEBI:35618)
LDC4297 (CHEBI:144671) is a piperidines (CHEBI:26151)
LDC4297 (CHEBI:144671) is a pyrazoles (CHEBI:26410)
LDC4297 (CHEBI:144671) is a pyrazolotriazine (CHEBI:144709)
LDC4297 (CHEBI:144671) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
2-(piperidin-3-yloxy)-8-(propan-2-yl)-N-[2-(1H-pyrazol-1-yl)benzyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
Synonyms  Source
2-[(piperidin-3-yl)oxy]-8-(propan-2-yl)-N-{[2-(1H-pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a][1,3,5]triazin-4-amineIUPAC
LDC 4297ChEBI
LDC-4297ChEBI
LCD044297ChEBI
8-(1-methylethyl)-2-(3-piperidinyloxy)-N-[[2-(1H-pyrazol-1-yl)phenyl]methyl]-pyrazolo[1,5-a]-1,3,5-triazin-4-amineChEBI
Registry NumbersSources
CAS:1453834-21-3ChEBI
Citations