REFAMETINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JPX07AFM0N

Structure
InChI Key RDSACQWTXKSHJT-NSHDSACASA-N
Smile COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1
InChI
InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20F3IN2O5S
Molecular Weight 572.34
AlogP 3.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 107.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Primary Target
mitogen-activated protein kinase kinase 1
mitogen-activated protein kinase kinase 2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - 439 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 36 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 19 130 - -
Enzyme Kinase Protein kinase regulatory subunit
- - 17783 - -
Enzyme Transferase
- - 778 - 2.71-12.88
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -14.41-9.25

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 923032-37-5
ChEMBL CHEMBL1236682
DrugBank DB06309
EPA CompTox DTXSID40238961
FDA SRS JPX07AFM0N
Guide to Pharmacology 7942
PDB VRA
PubChem 44182295
SureChEMBL SCHEMBL345333
ZINC ZINC000039187987
CONTENTS