GtoPdb Ligand ID: 10313

Synonyms: example GG [US9464092B2] | G1T-38 | G1T38
Compound class: Synthetic organic
Comment: Lerociclib (G1T38) is an investigational CDK4/6 inhibitor [3]. It is being developed to help protect non-cancerous (normal) cells (in particular, hematopoietic stem and progenitor cells, and renal cells) in patients who are undergoing DNA damaging cancer chemotherapy [1]. Lerociclib was designed to be highly selective, and short and transiently-acting.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 91.21
Molecular weight 474.29
XLogP 4.53
No. Lipinski's rules broken 0
Canonical SMILES CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C
Isomeric SMILES CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C
InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
Bioactivity Comments
Efficacy of G1T38 in preclinical models of hormone-sensitive and treatment-resistant prostate cancer has been reported [2].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 4 Hs Inhibitor Inhibition 9.0 pIC50 - 3
pIC50 9.0 (IC50 1x10-9 M) [3]
Description: Inhibition of CDK4/cyclin D1
cyclin dependent kinase 6 Hs Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 4.7x10-9 M) [3]
Description: Inhibition of CDK6/cyclin D3 complex