GSK-1838705A   Click here for help

GtoPdb Ligand ID: 5683

Synonyms: GSK 1838705A | GSK1838705 | GSK1838705A
Compound class: Synthetic organic
Comment: GSK-1838705A is an experimental inhibitor of the insulin receptor (INSR), insulin-like growth factor I receptor (IGF1R), and anaplastic lymphoma receptor tyrosine kinase (ALK) [2], with little inhibitory effect on other kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 127.51
Molecular weight 532.23
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2
Isomeric SMILES CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2
InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
InChI Key HZTYDQRUAWIZRE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide
Synonyms Click here for help
GSK 1838705A | GSK1838705 | GSK1838705A
Database Links Click here for help
CAS Registry No. 1186659-59-5
ChEMBL Ligand CHEMBL464552
GtoPdb PubChem SID 178102310
PubChem CID 25182616
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Tocris
GSK 1838705
Cat. No. 5111