GSK1511931   Click here for help

GtoPdb Ligand ID: 8644

Synonyms: compound 14 [PMID: 19081716] | GSK-1511931 | GSK1511931A
Compound class: Synthetic organic
Comment: GSK1511931 is an investigational IGF-1R inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 94.23
Molecular weight 508.27
XLogP 5.36
No. Lipinski's rules broken 1
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Canonical SMILES COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C
Isomeric SMILES COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C
InChI InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 14 [PMID: 19081716] | GSK-1511931 | GSK1511931A
Database Links Click here for help
ChEMBL Ligand CHEMBL458438
GtoPdb PubChem SID 252166844
PubChem CID 44581765
Search Google for chemical match using the InChIKey PEPOAPKYASCEKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PEPOAPKYASCEKL
UniChem Compound Search for chemical match using the InChIKey PEPOAPKYASCEKL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PEPOAPKYASCEKL-UHFFFAOYSA-N