GNE-7883   Click here for help

GtoPdb Ligand ID: 12814

Synonyms: GNE7883
Compound class: Synthetic organic
Comment: GNE-7883 is a small molecule that disrupts the protein-protein interactions between all TEAD transcription factor paralogs (TEAD1-4) and YAP/TAZ proteins of the Hippo signalling pathway [1]. It binds to an allosteric site within the TEAD lipid pocket. TEAD inhibitors and/or degraders are proposed for potential to synergise with RAS inhibition in the tumour setting.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 89.73
Molecular weight 500.57
XLogP 3.71
No. Lipinski's rules broken 1
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Canonical SMILES CC1=NC=CN=C1C2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)C5CCCCC5)C(=O)N6CC(CF)C6
Isomeric SMILES CC1=NC=CN=C1C2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)C5CCCCC5)C(=O)N6CC(C6)CF
InChI InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,33H,2-6,14-16H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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CAS Registry No. 2648450-42-2 (source: PubChem)
ChEMBL Ligand CHEMBL5191316
GtoPdb PubChem SID 483123362
PubChem CID 164852436
Search Google for chemical match using the InChIKey OMGKSFJZXSXHCA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OMGKSFJZXSXHCA
UniChem Compound Search for chemical match using the InChIKey OMGKSFJZXSXHCA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OMGKSFJZXSXHCA-UHFFFAOYSA-N