trilaciclib   Click here for help

GtoPdb Ligand ID: 9626

Synonyms: Cosela® | G1T28
Approved drug Immunopharmacology Ligand
trilaciclib is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: Trilaciclib (G1T28) is a short-acting CDK4/6 inhibitor that was developed by G1 Therapeutics [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.21
Molecular weight 446.25
XLogP 3.65
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2
Isomeric SMILES CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2
InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
Bioactivity Comments
Preclinical findings are reported in [1]. G1T28 is selective for CDK4/6 over other CDKs. Inhibition of off-target kinases with high affinity binding is reported- e.g. of the enzymes inhibited by >90% at 100nM G1T28, FLT3(D835V), GAK, NEK10, PRKD1, PRKD3, SNARK and ULK2 all have an affinity constant (Kd) <10nM [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 4 Hs Inhibitor Inhibition 10.0 pKd - 1
pKd 10.0 (Kd 1x10-10 M) [1]
Description: Inhibition of CDK4/cyclin D3
cyclin dependent kinase 4 Hs Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
Description: Inhibition of CDK4/cyclin D1
cyclin dependent kinase 6 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
Description: Inhibition of CDK6/cyclin D3
cyclin dependent kinase 9 Hs Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5x10-8 M) [1]
Description: Inhibition of CDK9/cyclinT
cyclin dependent kinase 2 Hs Inhibitor Inhibition 5.9 pIC50 - 1
pIC50 5.9 (IC50 1.29x10-6 M) [1]
Description: Inhibition of CDK2/cyclinA
cyclin dependent kinase 7 Hs Inhibitor Inhibition 5.3 pIC50 - 1
pIC50 5.3 (IC50 4.64x10-6 M) [1]
Description: Inhibition of CDK7/cyclinM/Mat1