TRULI   Click here for help

GtoPdb Ligand ID: 12663

Synonyms: TRULI; The Rockefeller University Lats Inhibitor
Compound class: Synthetic organic
Comment: TRULI inhibits large tumor suppressor (LATS) kinase activity in vitro [1]. It is ATP-competitive inhibitor. This action appears to promote Yap-dependent proliferation of postmitotic mammalian cells (e.g., the mechanosensitive hair cells of the inner ear which have poor regenerative capacity) by activating the regenerative potential of the Hippo pathway.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.36
Molecular weight 334.4
XLogP 2.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CNC4=C3C=CC=N4
Isomeric SMILES C(C1=CC=CC=C1)N2C(SC=C2)=NC(=O)C3=CNC4=NC=CC=C43
InChI InChI=1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)
InChI Key VTXBMVZVPUSAJF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Synonyms Click here for help
TRULI; The Rockefeller University Lats Inhibitor
Database Links Click here for help
CAS Registry No. 1424635-83-5 (source: PubChem)
GtoPdb PubChem SID 483123211
PubChem CID 71890885
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