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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2171124
CHEMBL2171124
Compound Name
ChEMBL Synonyms GSK-2606414
Max Phase 0
Trade Names
Molecular Formula C24H20F3N5O

Additional synonyms for CHEMBL2171124 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(c2ccc3N(CCc3c2)C(=O)Cc4cccc(c4)C(F)(F)F)c5c(N)ncnc15
Standard InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31) ...
Download InChI
Standard InChI Key SIXVRXARNAVBTC-UHFFFAOYSA-N

Sources

  • Published Kinase Inhibitor Set 2
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2171124

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
451.5 451.162 4.37 3 77.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.76 4.18 4.16 4 33 0.5

Structural Alerts

There are 1 structural alerts for CHEMBL2171124. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SIXVRXARNAVBTC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2171124



BindingDB 50396534
ChemicalBook CB62616980
MolPort MolPort-035-395-275
Nikkaji J3.338.975B
PDBe 0WH
PubChem 53469448
PubChem: Thomson Pharma 126495735
SureChEMBL SCHEMBL868254
ZINC ZINC000095550949

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