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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL558752
CHEMBL558752
Compound Name RAF-265
ChEMBL Synonyms NVP-RAF265 | RAF-265 | CHIR-265
Max Phase 2
Trade Names
Molecular Formula C24H16F6N6O

Additional synonyms for CHEMBL558752 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5ncc([nH]5)C(F)(F ...
Download SMILES
Standard InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14 ...
Download InChI
Standard InChI Key YABJJWZLRMPFSI-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL558752

Molecule Features

CHEMBL558752 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
Serine/threonine-protein kinase B-raf inhibitor Serine/threonine-protein kinase B-raf PubMed PubMed
Vascular endothelial growth factor receptor 2 inhibitor Vascular endothelial growth factor receptor 2 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MelanomaD008545EFO:0002617metastatic melanoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials

Clinical Data

ClinicalTrials.gov RAF-265
The Cochrane Collaboration RAF-265

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 CHEMBL558752. 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
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL5014 Serine/threonine-protein kinase RIPK2 Homo sapiens 1.000
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.999
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.998
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.993
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.990
CHEMBL1841 Tyrosine-protein kinase FYN Homo sapiens 0.989
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 0.964
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.960
CHEMBL1913 Platelet-derived growth factor receptor beta Homo sapiens 0.927
CHEMBL5358 Eukaryotic translation initiation factor 2-alpha kinase 4 Homo sapiens 0.925
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 0.845
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 0.737
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.732
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.326
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.310



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL5014 Serine/threonine-protein kinase RIPK2 Homo sapiens 1.000
CHEMBL3886 Mixed lineage kinase 7 Homo sapiens 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 1.000
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 1.000
CHEMBL1841 Tyrosine-protein kinase FYN Homo sapiens 1.000
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 1.000
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 1.000
CHEMBL4014 Tyrosine-protein kinase ABL2 Homo sapiens 1.000
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 0.999
CHEMBL5810 Ephrin type-A receptor 1 Homo sapiens 0.998
CHEMBL4948 Dual specificity mitogen-activated protein kinase kinase 5 Homo sapiens 0.998
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.997
CHEMBL4526 Ephrin type-A receptor 6 Homo sapiens 0.997
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 0.994
CHEMBL5358 Eukaryotic translation initiation factor 2-alpha kinase 4 Homo sapiens 0.994

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
518.4 518.129 6.93 5 80.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.07 4.41 4.38 5 37 0.25

Structural Alerts

There are 1 structural alerts for CHEMBL558752. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YABJJWZLRMPFSI-UHFFFAOYSA-N
PubChem SID: 137275908 SID: 50100093

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL558752



BindingDB 31088
ChEBI 91451
DrugBank DB05984
eMolecules 32278206
FDA SRS 8O434L3768
Guide to Pharmacology 5674
IBM Patent System DFEBF3EBB935CCD20571EB8BF49F5670 7652F94B7BE96C933213EB8F3A199108
LINCS LSM-1207
MolPort MolPort-016-633-290
PDBe 55J
PubChem 11656518
PubChem: Drugs of the Future 123055402
PubChem: Thomson Pharma 16760016 87231167
Selleck RAF265(CHIR-265)
SureChEMBL SCHEMBL686452
ZINC ZINC000018710085

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