SORBINIL

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Synonyms
Status
Molecule Category Free-form
UNII G4186B906P
EPA CompTox DTXSID0023587

Structure

InChI Key LXANPKRCLVQAOG-NSHDSACASA-N
Smiles O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1
InChI
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9FN2O3
Molecular Weight 236.2
AlogP 0.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 67.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Aldose reductase inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 17-990 - - 10-95
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 150 - - -
Homo sapiens
- 140-971 - - 87.36
Mus musculus
- - - - 44
Oryctolagus cuniculus
- 67-250 - - 80-95
Rattus norvegicus
- 17-990 - - 12.3-96

Target Conservation

Protein: Aldose reductase
Description: Aldo-keto reductase family 1 member B1
Organism : Homo sapiens
P15121 ENSG00000085662

Cross References

Resources Reference
ChEBI 102029
ChEMBL CHEMBL266497
DrugBank DB02712
FDA SRS G4186B906P
Guide to Pharmacology 7415
PDB SBI
PubChem 337359
SureChEMBL SCHEMBL48877
ZINC ZINC000000002070
CONTENTS