IM-12   Click here for help

GtoPdb Ligand ID: 8017

Compound class: Synthetic organic
Comment: IM-12 is a selective inhibitor of glycogen synthase kinase-3β (GSK-3β) [8].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 65.2
Molecular weight 377.15
XLogP 4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2
Isomeric SMILES Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2
InChI InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3
InChI Key ZKJAZFUFPPSFCO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687670
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 1129669-05-1
ChEMBL Ligand CHEMBL1254896
GtoPdb PubChem SID 249565697
PubChem CID 25209788
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