CHEBI:49791 - PD173955

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ChEBI Name PD173955
ChEBI ID CHEBI:49791
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38931, CHEBI:49790
Supplier Information
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Formula C21H16Cl2N4OS
Net Charge 0
Average Mass 443.34950
Monoisotopic Mass 442.04219
InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChIKey VAARYSWULJUGST-UHFFFAOYSA-N
SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
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ChEBI Ontology
Outgoing PD173955 (CHEBI:49791) has role tyrosine kinase inhibitor (CHEBI:38637)
PD173955 (CHEBI:49791) is a aryl sulfide (CHEBI:35683)
PD173955 (CHEBI:49791) is a dichlorobenzene (CHEBI:23697)
PD173955 (CHEBI:49791) is a methyl sulfide (CHEBI:86315)
PD173955 (CHEBI:49791) is a pyridopyrimidine (CHEBI:38932)
Incoming linkable PD173955 analogue (CHEBI:39079) has functional parent PD173955 (CHEBI:49791)
IUPAC Name
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Synonyms Sources
6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE PDBeChem
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylthio)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one ChEBI
Manual Xrefs Databases
DB02567 DrugBank
P17 PDBeChem
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Registry Number Type Source
10596453 Beilstein Registry Number Beilstein
Last Modified
05 September 2022