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CHEBI:140875 - SKLB-677

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:
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.
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
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