TOLRESTAT

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Synonyms:	Alderase Alredase AY-27,773 AY-27773 Tolrestat
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	A10XA01
UNII:	0T93LG5NMK

Structure


InChI Key	LUBHDINQXIHVLS-UHFFFAOYSA-N
Smile	COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F
InChI	InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H14F3NO3S
Molecular Weight	357.35
AlogP	3.56
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	49.77
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	24.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Aldose reductase inhibitor	PubMed PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	2-1000	-	22000	65-98

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
ChEBI	48549
ChEMBL	CHEMBL436
DrugBank	DB02383
DrugCentral	2704
EPA CompTox	DTXSID6048834
FDA SRS	0T93LG5NMK
Guide to Pharmacology	7404
KEGG	C01621
PDB	TOL
PubChem	53359
SureChEMBL	SCHEMBL49326
ZINC	ZINC000003780343

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