CHEBI:131156 - AZD7762

ChEBI IDCHEBI:131156
ChEBI NameAZD7762
Stars
DefinitionA member of the class of thiophenes that is thiophene substituted by N-[(3S)-piperidin-3-yl]aminocarbonyl, carbamoylamino, and 3-fluorophenyl groups at positions 2, 3 and 5, respectively. It is a potent ATP-competitive checkpoint kinase inhibitor (IC50 = 5 nM for Chk1).
Last Modified16 July 2024
DownloadsMolfile
FormulaC17H19FN4O2S
Net Charge0
Average Mass362.430
Monoisotopic Mass362.12128
SMILESNC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
InChIKeyIAYGCINLNONXHY-LBPRGKRZSA-N
Roles Classification
Biological Roles:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AZD7762 (CHEBI:131156) has role antineoplastic agent (CHEBI:35610)
AZD7762 (CHEBI:131156) has role apoptosis inducer (CHEBI:68495)
AZD7762 (CHEBI:131156) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
AZD7762 (CHEBI:131156) is a aromatic amide (CHEBI:62733)
AZD7762 (CHEBI:131156) is a monofluorobenzenes (CHEBI:83575)
AZD7762 (CHEBI:131156) is a piperidines (CHEBI:26151)
AZD7762 (CHEBI:131156) is a secondary carboxamide (CHEBI:140325)
AZD7762 (CHEBI:131156) is a thiophenes (CHEBI:26961)
AZD7762 (CHEBI:131156) is a ureas (CHEBI:47857)
IUPAC Name 
3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
Synonyms  Source
3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-3-piperidinyl]-2-thiophenecarboxamideChEBI
AZD 7762ChEBI
AZD-7762ChEBI
5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamideChEBI
5-(3-fluorophenyl)-3-ureidothiophene-2-carboxylic acid N-[(S)-piperidin-3-yl]amideChEBI
3-[(aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-thiophenecarboxamideChEBI
Manual XrefsDatabases
LSM-42751LINCS
DB12242DrugBank
YDJPDBeChem
Registry NumbersSources
CAS:860352-01-8DrugBank
Citations