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CHEBI:45307 - seliciclib

ChEBI IDCHEBI:45307
ChEBI Nameseliciclib
Stars
Definition2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.
Last Modified24 February 2016
DownloadsMolfile
FormulaC19H26N6O
Net Charge0
Average Mass354.458
Monoisotopic Mass354.21681
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKeyBTIHMVBBUGXLCJ-OAHLLOKOSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
seliciclib (CHEBI:45307) has role antiviral drug (CHEBI:36044)
seliciclib (CHEBI:45307) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
seliciclib (CHEBI:45307) is a 2,6-diaminopurines (CHEBI:38001)
IUPAC Name 
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
INN  Source
seliciclibChemIDplus
Synonyms  Source
2-(R)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurineChemIDplus
(2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-olPDBeChem
(2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanolChemIDplus
CYC202ChemIDplus
(R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanolChemIDplus
RoscovitineChemIDplus
Manual XrefsDatabases
LSM-1001LINCS
RRCPDBeChem
SeliciclibWikipedia
Registry NumbersSources
Reaxys:7694281Reaxys
CAS:186692-46-6ChemIDplus
Citations