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CHEBI:156259 - PD-166866

Default Structure
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
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