J30-8   Click here for help

GtoPdb Ligand ID: 10429

Compound class: Synthetic organic
Comment: J30-8 is a selective JNK3 (a.k.a. mitogen-activated protein kinase 10; MAPK10) inhibitor. It is the most potent inhibitor from a series of compounds reported by Dou et al. (2019) that were identified using structure-based virtual, similarity and SAR screening stages [2]. JNK3 has been proposed as the primary kinase that is responsible for phosphorylating Aβ precursor protein (APP) at Thr668, which leads to accelerated Aβ formation and elevated plaque burden [1,3]. Pharmacological inhibition of JNK3 is therefore being explored as a novel modality for the treatment of Alzheimer's and other neurodegenerative diseases. J30-8 provides a suitable in vitro and in vivo tool to further study JNK3's role in these pathological conditions.
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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 1
Topological polar surface area 95.86
Molecular weight 373.01
XLogP 2.78
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc2c(c1)C(=C1SC(=Nc3ccccc3Cl)NC1=O)C(=O)N2
Isomeric SMILES Fc1ccc2c(c1)/C(=C\1/S/C(=N\c3ccccc3Cl)/NC1=O)/C(=O)N2
InChI InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7H,(H,20,23)(H,21,22,24)/b14-13-
Classification Click here for help
Compound class Synthetic organic
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Database Links Click here for help
GtoPdb PubChem SID 385612189
PubChem CID 4078145
Search Google for chemical match using the InChIKey HNOFQKYBQYGFNQ-YPKPFQOOSA-N
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UniChem Compound Search for chemical match using the InChIKey HNOFQKYBQYGFNQ-YPKPFQOOSA-N
UniChem Connectivity Search for chemical match using the InChIKey HNOFQKYBQYGFNQ-YPKPFQOOSA-N