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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1834657
CHEMBL1834657
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H34Cl2N7O7P

Additional synonyms for CHEMBL1834657 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCN(CC1)c2ccc(Nc3cc(ncn3)N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4C ...
Download SMILES
Standard InChI InChI=1S/C26H31Cl2N7O3.H3O4P/c1-5-34-10-12-35(13-11-34)18-8- ...
Download InChI
Standard InChI Key GUQNHCGYHLSITB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1834657

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 CHEMBL1834657. 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
CHEMBL3973 Fibroblast growth factor receptor 4 Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 1.000
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.999
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 0.999
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.953
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.913
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.688
CHEMBL5147 Ephrin type-B receptor 4 Homo sapiens 0.454
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.400
CHEMBL4142 Fibroblast growth factor receptor 2 Homo sapiens 0.387
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.341



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3973 Fibroblast growth factor receptor 4 Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 1.000
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 1.000
CHEMBL1981 Insulin receptor Homo sapiens 1.000
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 0.999
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 0.997
CHEMBL2073 Tyrosine-protein kinase YES Homo sapiens 0.996
CHEMBL4142 Fibroblast growth factor receptor 2 Homo sapiens 0.990
CHEMBL5072 Ephrin type-B receptor 1 Homo sapiens 0.981
CHEMBL2637 c-Jun N-terminal kinase 3 Homo sapiens 0.980
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.969
CHEMBL1841 Tyrosine-protein kinase FYN Homo sapiens 0.949
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.949
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.948
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 0.903
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.881
CHEMBL3834 Tyrosine-protein kinase BMX Homo sapiens 0.448
CHEMBL5147 Ephrin type-B receptor 4 Homo sapiens 0.445
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.412
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.346

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
560.5 559.1865 5.35 8 95.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 2 10 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.02 7.96 4.13 3.45 3 38 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1834657. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GUQNHCGYHLSITB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1834657



FDA SRS 58BH47BV6S
MolPort MolPort-042-665-783
PubChem 56669626
SureChEMBL SCHEMBL14893408

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