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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)