AVAPRITINIB


Synonyms	70C366 Avapritinib Ayvakit BLU-285 C-366 X-720776 X720776
Status
Molecule Category	UNKNOWN
ATC	L01EX18
UNII	513P80B4YJ


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	DWYRIWUZIJHQKQ-SANMLTNESA-N
Smiles	Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1
InChI	InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H27FN10
Molecular Weight	498.57
AlogP	2.61
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	106.29
Molecular species	BASE
Aromatic Rings	5.0
Heavy Atoms	37.0

Bioactivity

Mechanism of Action	Action	Reference
Platelet-derived growth factor receptor alpha inhibitor	INHIBITOR	FDA


Protein: Stem cell growth factor receptor Description: Mast/stem cell growth factor receptor Kit Organism : Homo sapiens P10721 ENSG00000157404











Protein: Platelet-derived growth factor receptor alpha Description: Platelet-derived growth factor receptor alpha Organism : Homo sapiens P16234 ENSG00000134853

Cross References

Resources	Reference
ChEMBL	CHEMBL4204794
DrugBank	DB15233
DrugCentral	5379
FDA SRS	513P80B4YJ
Guide to Pharmacology	10368
PubChem	118023034
SureChEMBL	SCHEMBL16652297

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).