CHEBI:38937 - aminopurvalanol

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ChEBI Name aminopurvalanol
ChEBI ID CHEBI:38937
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H26ClN7O
Net Charge 0
Average Mass 403.90902
Monoisotopic Mass 403.18874
InChI InChI=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
InChIKey RAMROQQYRRQPDL-HNNXBMFYSA-N
SMILES CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1
Roles Classification
Biological Role(s): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
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ChEBI Ontology
Outgoing 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 A ChEBI
Manual Xref Database
LSM-2151 LINCS
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Registry Number Type Source
9293320 Beilstein Registry Number Beilstein
Last Modified
24 February 2016