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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1099276
CHEMBL1099276
Compound Name
ChEMBL Synonyms GSK1007102B
Max Phase 0
Trade Names
Molecular Formula C23H25N7O3

Additional synonyms for CHEMBL1099276 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N
Standard InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7- ...
Download InChI
Standard InChI Key VLGIYSJSJHPDHN-KRWDZBQOSA-N

Sources

  • GSK Published Kinase Inhibitor Set
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1099276

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
447.5 447.2019 2.28 6 151.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.11 6.76 2.12 2.06 4 33 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL1099276. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VLGIYSJSJHPDHN-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1099276



BindingDB 50316192
IBM Patent System 87F9D2B37D9AFE46455F834D27328B62
Nikkaji J3.496.856J
PubChem 11959314
PubChem: Thomson Pharma 17417615
SureChEMBL SCHEMBL4596179
ZINC ZINC000049089465

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