5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole
- PubChem编号: 46225540
有货
英文名称 | 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole |
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别名 | compound 1 |
英文别名 | compound 1 |
IUPAC Name | 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole |
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INCHI | InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 |
InChi Key | XONRTPBYDAFIRW-NRFANRHFSA-N |
Canonical SMILES | N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1 |
PubChem CID | 46225540 |
ChEMBL Ligand | CHEMBL593490 |
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PubChem CID | 46225540 |
RCSB PDB Ligand | B99 |
Ligand ID | 8181 |
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名称 | compound 1 [PMID: 20005102] |
类别 | Synthetic organic |
学名 | 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole |
生物活性评价 |
Off-targets include P70S6K, PAK1, PDK1, PKA and RSK |
评价 |
Compound 1 was used as the starting molecular structure for the design and development of AKT (protein kinase B) inhibitors with improved drug-like properties and kinase selectivity |
1. Lin H, Yamashita DS, Zeng J, Xie R, Verma S, Luengo JI, Rhodes N, Zhang S, Robell KA, Choudhry AE et al.. (2010) 2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles.. Bioorg Med Chem Lett, 20 (2): (679-83). [PMID:20005102] |