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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223360
CHEMBL223360
Compound Name LINIFANIB
ChEMBL Synonyms AL-39324 | RG-3635 | ABT-869 | LINIFANIB
Max Phase 3
Trade Names
Molecular Formula C21H18FN5O

Additional synonyms for CHEMBL223360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)c3cccc4[nH]nc(N)c34)c1
Standard InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14 ...
Download InChI
Standard InChI Key MPVGZUGXCQEXTM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL223360

Molecule Features

CHEMBL223360 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
Macrophage colony stimulating factor receptor inhibitor Macrophage colony stimulating factor receptor PubMed PubMed
Platelet-derived growth factor receptor inhibitor Platelet-derived growth factor receptor PubMed PubMed
Tyrosine-protein kinase receptor FLT3 inhibitor Tyrosine-protein kinase receptor FLT3 PubMed PubMed
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
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma2ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov LINIFANIB
The Cochrane Collaboration LINIFANIB

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 CHEMBL223360. 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
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 1.000
CHEMBL5464 Receptor-interacting serine/threonine-protein kinase 1 Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.991
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.841
CHEMBL2185 Serine/threonine-protein kinase Aurora-B Homo sapiens 0.805
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.527
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.452
CHEMBL4040 MAP kinase ERK2 Homo sapiens 0.253
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 0.252
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL5464 Receptor-interacting serine/threonine-protein kinase 1 Homo sapiens 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.992
CHEMBL2185 Serine/threonine-protein kinase Aurora-B Homo sapiens 0.873
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.873
CHEMBL4040 MAP kinase ERK2 Homo sapiens 0.812
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.577
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.425
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
375.4 375.1495 4.9 3 95.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.3 3.67 3.76 3.76 4 28 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL223360. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MPVGZUGXCQEXTM-UHFFFAOYSA-N
PubChem SID: 103904340 SID: 137275904 SID: 50100086

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223360



ACToR 796967-16-3
BindingDB 21079
ChEBI 91435
ChemicalBook CB52464951
eMolecules 31507650
EPA CompTox Dashboard DTXSID40229834
FDA SRS CO93X137CW
Guide to Pharmacology 5657
IBM Patent System 2D7C53CDD62639A6034F84E137DC3B87 48AA86B8E28ABE29B680AF10A1C8FCD7
LINCS LSM-1183
MolPort MolPort-009-679-408
Nikkaji J2.388.171C
PubChem 11485656
PubChem: Drugs of the Future 99431596
PubChem: Thomson Pharma 16587270
Selleck ABT-869
SureChEMBL SCHEMBL93804
ZINC ZINC000006718813

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