dalpiciclib   Click here for help

GtoPdb Ligand ID: 11189

Synonyms: Example 1 [WO2014183520A1] | SHR-6390 | SHR6390
Approved drug
dalpiciclib is an approved drug (China (2021))
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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2021))
IUPAC Name Click here for help
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
PubChem CID 86279927
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UniChem Compound Search for chemical match using the InChIKey SGJLSPUSUBJWHO-UHFFFAOYSA-N
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