dalpiciclib   Click here for help

GtoPdb Ligand ID: 11189

Synonyms: Example 1 [WO2014183520A1] | SHR-6390 | SHR6390
Compound class: Synthetic organic
Comment: The chemical structure submitted to the WHO for the INN dalpiciclib is identical to that of the orally administered CDK4/6 inhibitor SHR6390, via a PubChem structure match. Pharmacological and preclinical anti-tumour data for SHR6390 have been published [1,3], albeit without name>structure disclosure. SHR6390 was designed by Jiangsu Hengrui Medicine Company.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 101.8
Molecular weight 446.24
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1
Isomeric SMILES CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1
InChI InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)
InChI Key SGJLSPUSUBJWHO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
International Nonproprietary Names Click here for help
INN number INN
11428 dalpiciclib
Synonyms Click here for help
Example 1 [WO2014183520A1] | SHR-6390 | SHR6390
Database Links Click here for help
GtoPdb PubChem SID 434122249
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