IPRAGLIFLOZIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BK05
UNII: 3N2N8OOR7X

Structure
InChI Key AHFWIQIYAXSLBA-RQXATKFSSA-N
Smile OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21FO5S
Molecular Weight 404.46
AlogP 2.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Sodium/glucose cotransporter 2 inhibitor PubMed PMDA
Primary Target
Sodium/glucose cotransporter 2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
1900 7-8 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 761423-87-4
ChEBI 134724
ChEMBL CHEMBL2018096
DrugBank DB11698
DrugCentral 4890
FDA SRS 3N2N8OOR7X
Guide to Pharmacology 9394
PubChem 10453870
SureChEMBL SCHEMBL337645
ZINC ZINC000038897728
CONTENTS