SB-415286   Click here for help

GtoPdb Ligand ID: 8019

Synonyms: SB 415286 | SB415286
Compound class: Synthetic organic
Comment: SB-415286 is a potent glycogen synthase kinase-3 (GSK-3) inhibitor which is equipotent at the α and β isozymes [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 121.57
Molecular weight 359.03
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]
Isomeric SMILES O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]
InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChI Key PQCXVIPXISBFPN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)pyrrole-2,5-dione
Synonyms Click here for help
SB 415286 | SB415286
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687689
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 264218-23-7
ChEMBL Ligand CHEMBL322970
GtoPdb PubChem SID 249565699
PubChem CID 4210951
Search Google for chemical match using the InChIKey PQCXVIPXISBFPN-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey PQCXVIPXISBFPN-UHFFFAOYSA-N
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Tocris
SB 415286
Cat. No. 1617