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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275006
CHEMBL275006
Compound Name GYKI-52466
ChEMBL Synonyms GYKI-52466
Max Phase 0
Trade Names
Molecular Formula C17H15N3O2

Additional synonyms for CHEMBL275006 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=NN=C(c2ccc(N)cc2)c3cc4OCOc4cc3C1
Standard InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17 ...
Download InChI
Standard InChI Key LFBZZHVSGAHQPP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275006

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
293.3 293.1164 2.34 1 69.2 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.14 1.32 .09 2 22 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL275006. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LFBZZHVSGAHQPP-UHFFFAOYSA-N
PubChem SID: 11111215 SID: 11114090 SID: 124880187 SID: 90341141
Wikipedia GYKI-52,466

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275006



ACToR 102771-26-6
BindingDB 50048389
ChEBI 79560
eMolecules 538611
EPA CompTox Dashboard DTXSID40145500
FDA SRS 471V8NZ5X3
Guide to Pharmacology 4210
IBM Patent System A43176669612DA6F53CC905EEC79C014
KEGG Ligand C15040
LINCS LSM-2530
Nikkaji J347.048B
PubChem 3538
PubChem: Thomson Pharma 14824929
SureChEMBL SCHEMBL194854
ZINC ZINC000000004264

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