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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1289494
CHEMBL1289494
Compound Name TIVOZANIB
ChEMBL Synonyms TIVOZANIB | KRN-951 | KIL8951 | Kil-8951 | TIVOZANIB HYDROCHLORIDE | ASP-4130 | AV-951
Max Phase 3
Trade Names
Molecular Formula C22H19ClN4O5

Additional synonyms for CHEMBL1289494 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
Standard InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4 ...
Download InChI
Standard InChI Key SPMVMDHWKHCIDT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1289494

Molecule Features

CHEMBL1289494 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME2ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC
ClinicalTrials
SARCOMAD012509EFO:0000691SARCOMA2ClinicalTrials
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA1ClinicalTrials
CARCINOMA, HEPATOCELLULARD006528EFO:0000182HEPATOCELLULAR CARCINOMA2ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0000681RENAL CELL CARCINOMA3ClinicalTrials
ClinicalTrials
COLORECTAL NEOPLASMSD015179EFO:0000365COLORECTAL ADENOCARCINOMA2ClinicalTrials

Clinical Data

ClinicalTrials.gov TIVOZANIB
The Cochrane Collaboration TIVOZANIB

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 CHEMBL1289494. 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
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 1.000
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 1.000
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 1.000
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.999
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.997
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.988
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.959
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.928
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 0.776
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 0.621
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.220



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 1.000
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 1.000
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 1.000
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 1.000
CHEMBL3290 Ephrin type-B receptor 2 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.999
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.997
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.995
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.987
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.987
CHEMBL5014 Serine/threonine-protein kinase RIPK2 Homo sapiens 0.981
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.972
CHEMBL5469 Protein tyrosine kinase 2 beta Homo sapiens 0.900
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 0.801
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 0.701
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 0.695

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
454.9 454.1044 4.04 6 107.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.74 5.5 3 2.99 4 32 0.46

Structural Alerts

There are no structural alerts for CHEMBL1289494

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE34 - tivozanib

ChemSpider ChemSpider:SPMVMDHWKHCIDT-UHFFFAOYSA-N
PubChem SID: 124955473
Wikipedia Tivozanib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1289494



ACToR 475108-18-0
BindingDB 50331095
ChEBI 91327
DrugBank DB11800
eMolecules 29914599
FDA SRS 172030934T
Guide to Pharmacology 6058
IBM Patent System 7394FD55FB2D0FD93EFD0A656EE31815
LINCS LSM-1005
MolPort MolPort-009-679-467
Nikkaji J2.121.508B
PDBe AV9
PubChem 9911830
PubChem: Thomson Pharma 14882223
Selleck AV-951
SureChEMBL SCHEMBL172883
ZINC ZINC000001489430

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