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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL576982
CHEMBL576982
Compound Name QUIZARTINIB
ChEMBL Synonyms AC010220.2HCL | ASP-2689 | AC010220 | AC220 | QUIZARTINIB DIHYDROCHLORIDE | QUIZARTINIB | AC-220
Max Phase 3
Trade Names
Molecular Formula C29H32N6O4S

Additional synonyms for CHEMBL576982 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4 ...
Download SMILES
Standard InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30 ...
Download InChI
Standard InChI Key CVWXJKQAOSCOAB-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL576982

Molecule Features

CHEMBL576982 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N 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
Stem cell growth factor receptor inhibitor Stem cell growth factor receptor PubMed PubMed
Tyrosine-protein kinase receptor FLT3 inhibitor Tyrosine-protein kinase receptor FLT3 PubMed PubMed
Tyrosine-protein kinase receptor RET inhibitor Tyrosine-protein kinase receptor RET PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome3ClinicalTrials
LeukemiaD007938EFO:0000565leukemia1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials

Clinical Data

ClinicalTrials.gov QUIZARTINIB
The Cochrane Collaboration QUIZARTINIB

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 CHEMBL576982. 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
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 1.000
CHEMBL5464 Receptor-interacting serine/threonine-protein kinase 1 Homo sapiens 0.874
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.718
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 0.706



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 1.000
CHEMBL5464 Receptor-interacting serine/threonine-protein kinase 1 Homo sapiens 1.000
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.999
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.960
CHEMBL5014 Serine/threonine-protein kinase RIPK2 Homo sapiens 0.894
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 0.886
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 0.878
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.834
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 0.741
CHEMBL4954 Ephrin type-A receptor 3 Homo sapiens 0.703
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 0.652
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.648
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.565
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 0.540
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.488
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 0.457
CHEMBL5274 Tyrosine-protein kinase receptor Tie-1 Homo sapiens 0.364

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
560.7 560.2206 5.86 7 106.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 2 10 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.59 6.4 3.73 3.65 5 40 0.26

Structural Alerts

There are no structural alerts for CHEMBL576982

Compound Cross References

ChemSpider ChemSpider:CVWXJKQAOSCOAB-UHFFFAOYSA-N
PubChem SID: 137275856

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL576982



BindingDB 50300690
ChEBI 90217
ChemicalBook CB52514647
DrugBank DB12874
eMolecules 32176671
EPA CompTox Dashboard DTXSID70241746
FDA SRS 7LA4O6Q0D3
Guide to Pharmacology 5658
IBM Patent System 130D5DD39B89A089F99E06FD3682FE71
LINCS LSM-1037
MolPort MolPort-009-679-453
Nikkaji J3.116.294G
PDBe P30
PubChem 24889392
PubChem: Drugs of the Future 136350019
PubChem: Thomson Pharma 51081888
Selleck AC-220
SureChEMBL SCHEMBL72923
ZINC ZINC000043204002

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