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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1289601
CHEMBL1289601
Compound Name LENVATINIB
ChEMBL Synonyms LENVATINIB | ER-203492-00 | E7080 | LENVATINIB MESYLATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C21H19ClN4O4

Additional synonyms for CHEMBL1289601 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)N
Standard InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18( ...
Download InChI
Standard InChI Key WOSKHXYHFSIKNG-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1289601

Molecule Features

CHEMBL1289601 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Vascular endothelial growth factor receptor inhibitor Vascular endothelial growth factor receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MELANOMAD008545EFO:0002617METASTATIC MELANOMA1ClinicalTrials
BILIARY TRACT NEOPLASMSD001661EFO:0003891BILIARY TRACT NEOPLASM2ClinicalTrials
CARCINOMA, HEPATOCELLULARD006528EFO:0000182HEPATOCELLULAR CARCINOMA3ClinicalTrials
ClinicalTrials
GLIOMAD005910EFO:0000326CENTRAL NERVOUS SYSTEM CANCER2ClinicalTrials
MELANOMAD008545EFO:0000756MELANOMA2ClinicalTrials
CARCINOMA, ADENOID CYSTICD003528EFO:0000231ADENOID CYSTIC CARCINOMA2ClinicalTrials
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA2ClinicalTrials
ENDOMETRIAL NEOPLASMSD016889EFO:0004230ENDOMETRIAL NEOPLASM2ClinicalTrials
LYMPHOMAD008223EFO:0000574LYMPHOMA1ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER4ClinicalTrials
ClinicalTrials
THYROID NEOPLASMSD013964EFO:0002892THYROID CARCINOMA4ClinicalTrials
ClinicalTrials
FDA
DailyMed
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC
CARCINOMA, RENAL CELLD002292EFO:0000681RENAL CELL CARCINOMA1ClinicalTrials
LIVER DISEASESD008107EFO:0001421LIVER DISEASE1ClinicalTrials

Clinical Data

ClinicalTrials.gov LENVATINIB
The Cochrane Collaboration LENVATINIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1289601. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 0.921
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.650
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.616
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.595
CHEMBL2185 Serine/threonine-protein kinase Aurora-B Homo sapiens 0.370
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.238
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 0.232



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 1.000
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.997
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.993
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 0.958
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.922
CHEMBL2185 Serine/threonine-protein kinase Aurora-B Homo sapiens 0.910
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.637
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.630
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 0.521
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.521
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.491
CHEMBL2637 c-Jun N-terminal kinase 3 Homo sapiens 0.378

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
426.9 426.1095 2.83 6 115.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.09 4.69 2.15 2.15 3 30 0.56

Structural Alerts

There are no structural alerts for CHEMBL1289601

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE29 - lenvatinib

ChemSpider ChemSpider:WOSKHXYHFSIKNG-UHFFFAOYSA-N
DailyMed lenvatinib mesylate
PubChem SID: 137276042
Wikipedia Lenvatinib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1289601



ACToR 417716-92-8
BindingDB 50331094
ChEBI 85994
DrugBank DB09078
DrugCentral 4942
eMolecules 31507658
EPA CompTox Dashboard DTXSID50194605
FDA SRS EE083865G2
Guide to Pharmacology 7426
IBM Patent System C4073EAB15EB6DA65CB4F6DA2C68883E
MolPort MolPort-009-679-469
Nikkaji J2.624.265G
PDBe LEV
PharmGKB PA166153472
PubChem 9823820
PubChem: Thomson Pharma 14782907
Selleck E7080
SureChEMBL SCHEMBL864638
ZINC ZINC000003816292

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WOSKHXYHFSIKNG-UHFFFAOYSA-N spacer
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