RAVOXERTINIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R6AXV96CRH

Structure
InChI Key RZUOCXOYPYGSKL-GOSISDBHSA-N
Smile Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
InChI
InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H18ClFN6O2
Molecular Weight 440.87
AlogP 3.16
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 97.86
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase ERK1 inhibitor Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK3
- 21800 25000-32000 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 0-140 2-2 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3544964
DrugBank DB15281
FDA SRS R6AXV96CRH
Guide to Pharmacology 9229
PDB 6QB
PubChem 71727581
SureChEMBL SCHEMBL15245531
ZINC ZINC000144904566
CONTENTS