CHEBI:45307 - seliciclib

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ChEBI Name seliciclib
ChEBI ID CHEBI:45307
Definition 2,6-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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H26N6O
Net Charge 0
Average Mass 354.44930
Monoisotopic Mass 354.217
InChI InChI=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
InChIKey BTIHMVBBUGXLCJ-OAHLLOKOSA-N
SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Roles Classification
Biological Role(s): 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).
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing 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
seliciclib ChemIDplus
Synonyms Sources
(2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol ChemIDplus
(2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol PDBeChem
(R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol ChemIDplus
2-(R)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine ChemIDplus
CYC202 ChemIDplus
R-Roscovitine ChemIDplus
R-ROSCOVITINE PDBeChem
Roscovitine ChemIDplus
Manual Xrefs Databases
LSM-1001 LINCS
RRC PDBeChem
Seliciclib Wikipedia
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Registry Numbers Types Sources
186692-46-6 CAS Registry Number ChemIDplus
7694281 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25148827 PubMed citation Europe PMC
25378060 PubMed citation Europe PMC
25650699 PubMed citation Europe PMC
25726754 PubMed citation Europe PMC
25747275 PubMed citation Europe PMC
25938685 PubMed citation Europe PMC
26024233 PubMed citation Europe PMC
Last Modified
24 February 2016