EcoDrugPlus

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Synonyms	AST-2818 AST2818 Alflutinib Furmonertinib
Status
Molecule Category	Free-form
UNII	A49A7A5YN4

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SubStructure

Threshold (%) >= 70


InChI Key	GHKOONMJXNWOIW-UHFFFAOYSA-N
Smiles	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C
InChI	InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H31F3N8O2
Molecular Weight	568.6
AlogP	4.84
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	100.44
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	41.0

Mechanism of Action	Action	Reference
Epidermal growth factor receptor erbB1 inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Epidermal growth factor receptor erbB1 Description: Epidermal growth factor receptor Organism : Homo sapiens P00533 ENSG00000146648

Cross References

Resources	Reference
ChEMBL	CHEMBL4297258
DrugBank	DB16087
FDA SRS	A49A7A5YN4
Guide to Pharmacology	10477
PubChem	118861389
SureChEMBL	SCHEMBL17490447

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

ALFLUTINIB

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References