tanuxiciclib   Click here for help

GtoPdb Ligand ID: 11885

Synonyms: example 24 [WO2016126085A2]
Compound class: Synthetic organic
Comment: The chemical structure for tanuxiciclib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a cyclin dependent kinase inhibitor. It is one of the examples that are claimed in Beyond Bio's patent WO2016126085A2 [1]. In this patent data is provided for anti-proliferative activity against HCT116 human colon cancer cells.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 123.83
Molecular weight 312.11
XLogP 1.26
No. Lipinski's rules broken 0
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Canonical SMILES Cc1nc(N)nc(c1)c1nc(ccc1O)c1ccnc(c1F)N
Isomeric SMILES Nc1nccc(c1F)c1nc(c(cc1)O)c1nc(nc(c1)C)N
InChI InChI=1S/C15H13FN6O/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11929 tanuxiciclib
Synonyms Click here for help
example 24 [WO2016126085A2]
Database Links Click here for help
CAS Registry No. 1983983-64-7 (source: WHO INN record)
GtoPdb PubChem SID 461663441
PubChem CID 137150090
Search Google for chemical match using the InChIKey UQHDKUFLWKTTDL-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UQHDKUFLWKTTDL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UQHDKUFLWKTTDL-UHFFFAOYSA-N