trilaciclib   Click here for help

GtoPdb Ligand ID: 9626

Synonyms: G1T28
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Trilaciclib (G1T28) is an investigational short-acting CDK4/6 inhibitor being 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
SMILES / InChI / InChIKey
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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)
InChI Key PDGKHKMBHVFCMG-UHFFFAOYSA-N
References
1. Bisi JE, Sorrentino JA, Roberts PJ, Tavares FX, Strum JC. (2016)
Preclinical Characterization of G1T28: A Novel CDK4/6 Inhibitor for Reduction of Chemotherapy-Induced Myelosuppression.
Mol. Cancer Ther., 15 (5): 783-93. [PMID:26826116]
2. He S, Roberts PJ, Sorrentino JA, Bisi JE, Storrie-White H, Tiessen RG, Makhuli KM, Wargin WA, Tadema H, van Hoogdalem EJ et al.. (2017)
Transient CDK4/6 inhibition protects hematopoietic stem cells from chemotherapy-induced exhaustion.
Sci Transl Med, 9 (387). [PMID:28446688]