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CHEBI:63448 - PD173074

ChEBI IDCHEBI:63448
ChEBI NamePD173074
Stars
DefinitionA member of the class of ureas that is 1-tert-butylurea in which one of the hydrogens attached to N3 is substituted by a pyrido[2,3-d]pyrimidin-7-yl group, which is itself substituted at positions 2 and 6 by a 4-(diethylamino)butyl]amino group and a 3,5-dimethoxyphenyl group, respectively. It is a FGF/VEGF receptor tyrosine kinase inhibitor.
Last Modified30 July 2020
SubmitterBijay
DownloadsMolfile
FormulaC28H41N7O3
Net Charge0
Average Mass523.682
Monoisotopic Mass523.32709
SMILESCCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1
InChIInChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
InChIKeyDXCUKNQANPLTEJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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).
fibroblast growth factor receptor antagonist  An antagonist at the fibroblast growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PD173074 (CHEBI:63448) has functional parent PD-166866 (CHEBI:156259)
PD173074 (CHEBI:63448) has role antineoplastic agent (CHEBI:35610)
PD173074 (CHEBI:63448) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
PD173074 (CHEBI:63448) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
PD173074 (CHEBI:63448) is a aromatic amine (CHEBI:33860)
PD173074 (CHEBI:63448) is a biaryl (CHEBI:64459)
PD173074 (CHEBI:63448) is a dimethoxybenzene (CHEBI:51681)
PD173074 (CHEBI:63448) is a pyridopyrimidine (CHEBI:38932)
PD173074 (CHEBI:63448) is a tertiary amino compound (CHEBI:50996)
PD173074 (CHEBI:63448) is a ureas (CHEBI:47857)
IUPAC Name 
1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
Synonyms  Source
PD 173074ChEBI
PD-173074ChEBI
Manual XrefsDatabases
LSM-1026LINCS
Registry NumbersSources
Reaxys:10130688Reaxys
CAS:219580-11-7ChemIDplus
Citations