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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

Structural Alerts

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

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

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
BindinDB 50048389
eMolecules 538611
FDA SRS 471V8NZ5X3
Guide to Pharmacology 4210
IBM Patent System A43176669612DA6F53CC905EEC79C014
IBM Patents EP1002535A1 WO2000024395A1 US4614740
KEGG Ligand C15040
LINCS LSM-2530
Nikkaji J347.048B
PubChem 3538
PubChem: Thomson Pharma 14824929
SureChEMBL SCHEMBL194854
ZINC ZINC00004264

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