GSK2334470   

GtoPdb Ligand ID: 8008

Synonyms: GSK 2334470 | GSK-2334470
Compound class: Synthetic organic
Comment: GSK2334470 is a novel 3-phosphoinositide dependent protein kinase 1 (PDK1) inhibitor. Its discovery is described in [2], where it is compound 28d.
The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics [1,3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 124.85
Molecular weight 462.29
XLogP 4.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1CC(CCC1C)C(=O)NC1CCCCC1
Isomeric SMILES CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1
InChI InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1
InChI Key QLPHOXTXAKOFMU-WBVHZDCISA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide
Synonyms
GSK 2334470 | GSK-2334470
Database Links
CAS Registry No. 1227911-45-6
ChEMBL Ligand CHEMBL1765740
GtoPdb PubChem SID 249565688
PubChem CID 46215815
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Tocris
GSK 2334470
Cat. No. 4143