RADOTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I284LJY110

Structure
InChI Key DUPWHXBITIZIKZ-UHFFFAOYSA-N
Smile Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1
InChI
InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H21F3N8O
Molecular Weight 530.51
AlogP 5.75
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 110.51
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bcr/Abl fusion protein inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 3 D015464 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 926037-48-1
ChEMBL CHEMBL4297524
DrugBank DB12323
DrugCentral 5188
EPA CompTox DTXSID90239069
FDA SRS I284LJY110
Guide to Pharmacology 7814
PubChem 16063245
SureChEMBL SCHEMBL3359952
ZINC ZINC000059749972
CONTENTS