lerociclib   Click here for help

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.
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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 4
Topological polar surface area 91.21
Molecular weight 474.29
XLogP 4.53
No. Lipinski's rules broken 0
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11013 lerociclib
Synonyms Click here for help
example GG [US9464092B2] | G1T-38 | G1T38
Database Links Click here for help
BindingDB Ligand 253941
CAS Registry No. 1628256-23-4 (source: WHO INN list)
ChEMBL Ligand CHEMBL3904602
GtoPdb PubChem SID 381744994
PubChem CID 86269224
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UniChem Compound Search for chemical match using the InChIKey YPJRHEKCFKOVRT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YPJRHEKCFKOVRT-UHFFFAOYSA-N