AT-001

Search structure


Synonyms:	Aldose reductase-in-1 At-001 Caficrestat
Status:	Phase 3
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	E8I3O45DDU

Structure


InChI Key	YRGPAXAVTDMKDK-UHFFFAOYSA-N
Smile	O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2nccnc12
InChI	InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H10F3N5O3S
Molecular Weight	421.36
AlogP	2.49
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	110.86
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	29.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Aldose reductase inhibitor	Other Other

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Severe Acute Respiratory Syndrome	2	D045169	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1355612-71-3
ChEMBL	CHEMBL4297455
DrugBank	DB15121
FDA SRS	E8I3O45DDU
SureChEMBL	SCHEMBL359604
ZINC	ZINC000113653985

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