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CHEBI:140875 - SKLB-677

Default Structure
ChEBI IDCHEBI:140875
ChEBI NameSKLB-677
Stars
DefinitionA member of the class of phenylureas that is urea in which one of the nitrogens has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group, while the other has been substituted by a 3-fluoro-4-hydroxyphenyl group, the hydroxy group has been converted to the corresponding 1H-pyrazolo[3,4-d]pyrimidin-4-yl ether. It is an FLT3 (fms-like tyrosine kinase 3)and Wnt/β-catenin signaling inhibitor.
Last Modified4 June 2018
SubmitterCeri
DownloadsMolfile
FormulaC19H18FN7O3
Net Charge0
Average Mass411.397
Monoisotopic Mass411.14552
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4nncc34)c(F)c2)no1
InChIInChI=1S/C19H18FN7O3/c1-19(2,3)14-7-15(27-30-14)25-18(28)24-10-4-5-13(12(20)6-10)29-17-11-8-23-26-16(11)21-9-22-17/h4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28)
InChIKeyHYYTZUUXIPJLRY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Wnt signalling inhibitor  A substance that inhibits any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
ChEBI Ontology
Outgoing Relation(s)
SKLB-677 (CHEBI:140875) has role tyrosine kinase inhibitor (CHEBI:38637)
SKLB-677 (CHEBI:140875) has role Wnt signalling inhibitor (CHEBI:78031)
SKLB-677 (CHEBI:140875) is a aromatic ether (CHEBI:35618)
SKLB-677 (CHEBI:140875) is a isoxazoles (CHEBI:55373)
SKLB-677 (CHEBI:140875) is a monofluorobenzenes (CHEBI:83575)
SKLB-677 (CHEBI:140875) is a phenylureas (CHEBI:134043)
SKLB-677 (CHEBI:140875) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
Citations