lidorestat   Click here for help

GtoPdb Ligand ID: 7411

Synonyms: IDD-000676-01 | IDD-676
PDB Ligand
Compound class: Synthetic organic
Comment: Lidorestat is an experimental aldose reductase inhibitor. [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 83.36
Molecular weight 376.05
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F
Isomeric SMILES OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F
InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
InChI Key KYHVTMFADJNSGS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
8162 lidorestat
Synonyms Click here for help
IDD-000676-01 | IDD-676
Database Links Click here for help
CAS Registry No. 245116-90-9
ChEMBL Ligand CHEMBL363387
GtoPdb PubChem SID 178103983
PubChem CID 157839
RCSB PDB Ligand 3NA
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SynPHARM 80083 (in complex with aldo-keto reductase family 1 member B)