CHEBI:144671 - LDC4297

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ChEBI Name LDC4297
ChEBI ID CHEBI:144671
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter alison.axtman
Supplier Information
Download Molfile XML SDF
Formula C23H28N8O
Net Charge 0
Average Mass 432.532
Monoisotopic Mass 432.23861
InChI InChI=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)
InChIKey LSGRZENCFIIHNV-UHFFFAOYSA-N
SMILES CC(C1=C2N(N=C1)C(NCC3=CC=CC=C3N4N=CC=C4)=NC(OC5CCCNC5)=N2)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
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-amine IUPAC
8-(1-methylethyl)-2-(3-piperidinyloxy)-N-[[2-(1H-pyrazol-1-yl)phenyl]methyl]-pyrazolo[1,5-a]-1,3,5-triazin-4-amine ChEBI
LCD044297 ChEBI
LDC 4297 ChEBI
LDC-4297 ChEBI
Registry Number Type Source
1453834-21-3 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
25047832 PubMed citation Europe PMC
25624324 PubMed citation Europe PMC
30452929 PubMed citation Europe PMC
Last Modified
30 August 2019