SBP-3264   Click here for help

GtoPdb Ligand ID: 11811

Synonyms: compound 20 [PMID: 34807584] | SBP 3264 | SBP3264
Compound class: Synthetic organic
Comment: SBP-3264 is an inhibitor of the STE20 family serine/threonine kinases STK3 (MST2) and STK4 (MST1) [1]. STK3/4 activity initiates modulation of downstream Hippo pathway components which culminates in negative regulation of the major Hippo pathway transcriptional coactivators, Yes-associated protein 1 (YAP1) and transcriptional coactivator with PDZ-binding motif (TAZ; WWTR1). The Hippo pathway regulates cell proliferation, differentiation, and apoptosis. STK3 and STK4 have been identified as a potential targets for antileukemia therapy [2-4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.91
Molecular weight 369.14
XLogP 4.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)NC1CCN(CC1)c1ncnc2c1c(c[nH]2)c1cccc(c1)Cl
Isomeric SMILES Clc1cccc(c2c[nH]c3ncnc(N4CCC(NC(=O)C)CC4)c23)c1
InChI InChI=1S/C19H20ClN5O/c1-12(26)24-15-5-7-25(8-6-15)19-17-16(10-21-18(17)22-11-23-19)13-3-2-4-14(20)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,24,26)(H,21,22,23)
InChI Key AYRVYPOFYQSRNH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 20 [PMID: 34807584] | SBP 3264 | SBP3264
Database Links Click here for help
GtoPdb PubChem SID 458923846
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