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CHEBI:156259 - PD-166866

ChEBI IDCHEBI:156259
ChEBI NamePD-166866
Stars
DefinitionA member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM.
Last Modified30 July 2020
SubmitterCeri
DownloadsMolfile
FormulaC20H24N6O3
Net Charge0
Average Mass396.451
Monoisotopic Mass396.19099
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
InChIKeyNHJSWORVNIOXIT-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.
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PD-166866 (CHEBI:156259) has role angiogenesis inhibitor (CHEBI:48422)
PD-166866 (CHEBI:156259) has role antineoplastic agent (CHEBI:35610)
PD-166866 (CHEBI:156259) has role apoptosis inducer (CHEBI:68495)
PD-166866 (CHEBI:156259) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
PD-166866 (CHEBI:156259) is a biaryl (CHEBI:64459)
PD-166866 (CHEBI:156259) is a dimethoxybenzene (CHEBI:51681)
PD-166866 (CHEBI:156259) is a primary arylamine (CHEBI:50471)
PD-166866 (CHEBI:156259) is a pyridopyrimidine (CHEBI:38932)
PD-166866 (CHEBI:156259) is a ureas (CHEBI:47857)
Incoming Relation(s)
PD173074 (CHEBI:63448) has functional parent PD-166866 (CHEBI:156259)
IUPAC Name 
1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
Synonyms  Source
1-[2-amino-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyl ureaChEBI
N-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-ureaChEBI
PD 166866ChEBI
PD-166866ChemIDplus
PD166866ChEBI
Registry NumbersSources
CAS:192705-79-6ChemIDplus
Citations