AVAPRITINIB

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX18
UNII: 513P80B4YJ

Structure
InChI Key DWYRIWUZIJHQKQ-SANMLTNESA-N
Smile 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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor alpha inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0.2-1518 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 1.5 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Leukemia, Mast-Cell 2 D007946 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Mastocytosis, Systemic 2 D034721 ClinicalTrials
Glioma 1 D005910 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1703793-34-3
ChEMBL CHEMBL4204794
DrugBank DB15233
DrugCentral 5379
FDA SRS 513P80B4YJ
Guide to Pharmacology 10368
PubChem 118023034
SureChEMBL SCHEMBL16652297
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