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CHEBI:38937 - aminopurvalanol

ChEBI IDCHEBI:38937
ChEBI Nameaminopurvalanol
Stars
Last Modified24 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H26ClN7O
Net Charge0
Average Mass403.918
Monoisotopic Mass403.18874
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1
InChIKeyRAMROQQYRRQPDL-HNNXBMFYSA-N
Roles Classification
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
aminopurvalanol (CHEBI:38937) has role protein kinase inhibitor (CHEBI:37699)
aminopurvalanol (CHEBI:38937) is a monochlorobenzenes (CHEBI:83403)
aminopurvalanol (CHEBI:38937) is a purvalanol (CHEBI:38934)
IUPAC Name 
(2R)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Synonym  Source
aminopurvalanol AChEBI
Manual XrefsDatabases
LSM-2151LINCS
Registry NumbersSources
Beilstein:9293320Beilstein