From August 18th 2026, GtoPdb will require users to register to use the website. Please see our blog post for more information.

fovinaciclib   Click here for help

GtoPdb Ligand ID: 13207

Synonyms: Example 5 [WO2017193872] | FCN-437 | FCN-437c | FCN437 | Futuoning® (China)
Approved drug
fovinaciclib is an approved drug
Compound class: Synthetic organic
Comment: The chemical structure for fovinaciclib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as cyclin dependent kinase (CDK) inhibitor with antineoplastic potential. This compound is claimed in patent WO2017193872A1 (Fochon Pharmaceutical) [2]. It appears to be CDK4/6 inhibitor selective inhibitor FCN-437/FCN-437c [1].

fovinaciclib is commercially available from our sponsors

2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 104.44
Molecular weight 548.75
XLogP 1.92
No. Lipinski's rules broken 1

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES CN(C)C(=O)C1=C(C2CCCC2)C3=NC(=NC=C3S1)NC4=CC=C(C=N4)N5CCC(CC5)N6CCN(C)CC6
Isomeric SMILES C1(CCCC1)C2=C(SC3=C2N=C(N=C3)NC4=NC=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)C(=O)N(C)C
InChI InChI=1S/C29H40N8OS/c1-34(2)28(38)27-25(20-6-4-5-7-20)26-23(39-27)19-31-29(33-26)32-24-9-8-22(18-30-24)36-12-10-21(11-13-36)37-16-14-35(3)15-17-37/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31,32,33)
InChI Key PGGPKYATZSPYKB-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel