EcoDrugPlus


Synonyms	Henagliflozin SHR-3824 SHR3824 Shr3824
Status
Molecule Category	Free-form
UNII	21P2M98388

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SubStructure

Threshold (%) >= 70


InChI Key	HYTPDMFFHVZBOR-VNXMGFANSA-N
Smiles	CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F
InChI	InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H24ClFO7
Molecular Weight	454.88
AlogP	1.5
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	108.61
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	31.0

Mechanism of Action	Action	Reference
Sodium/glucose cotransporter 2 inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Sodium/glucose cotransporter 2 Description: Sodium/glucose cotransporter 2 Organism : Homo sapiens P31639 ENSG00000140675

Cross References

Resources	Reference
ChEMBL	CHEMBL4297431
DrugBank	DB11939
FDA SRS	21P2M98388
PubChem	56832738
SureChEMBL	SCHEMBL19461614
ZINC	ZINC000169698793

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

HENAGLIFLOZIN

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References