RIPRETINIB

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX19
UNII: 9XW757O13D

Structure
InChI Key CEFJVGZHQAGLHS-UHFFFAOYSA-N
Smile CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21
InChI
InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H21BrFN5O2
Molecular Weight 510.37
AlogP 5.67
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 88.05
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor alpha inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1.7-25000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Stromal Tumors 4 D046152 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4216467
DrugBank DB14840
FDA SRS 9XW757O13D
Guide to Pharmacology 9175
PubChem 71584930
SureChEMBL SCHEMBL14999718
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