RALIMETINIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 73I34XW4HD

Structure
InChI Key XPPBBJCBDOEXDN-UHFFFAOYSA-N
Smile CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21
InChI
InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29FN6
Molecular Weight 420.54
AlogP 5.55
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 85.41
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase p38 alpha inhibitor PubMed
Primary Target
mitogen-activated protein kinase 14

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 862505-00-8
ChEMBL CHEMBL2364626
DrugBank DB11787
EPA CompTox DTXSID00235456
FDA SRS 73I34XW4HD
Guide to Pharmacology 7959
PubChem 11539025
SureChEMBL SCHEMBL3989306
ZINC ZINC000034630490
CONTENTS