PD-166866 (CHEBI:156259)

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ChEBI Name	PD-166866

ChEBI ID	CHEBI:156259

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

Formula

C20H24N6O3

Net Charge

Average Mass

396.451

Monoisotopic Mass

396.19099

InChI

InChI=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)

InChIKey

NHJSWORVNIOXIT-UHFFFAOYSA-N

SMILES

O=C(NC(C)(C)C)NC=1N=C2N=C(N=CC2=CC1C3=CC(OC)=CC(OC)=C3)N

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. 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).

Application(s):	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	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	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	Sources
1-[2-amino-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyl urea	ChEBI
N-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-urea	ChEBI
PD 166866	ChEBI
PD-166866	ChemIDplus
PD166866	ChEBI

Registry Number	Type	Source
192705-79-6	CAS Registry Number	ChemIDplus

Last Modified

30 July 2020