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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 US20090324542 WO2009011412A2 WO1995019173A1 US7192931 US6465472 EP2251007A2 US20100256191 EP0527540A1 US7022700 US20040157833 WO2009155475A1 WO2002030448A2 US20030033089 US5459137 WO2002030447A2 US20040106601 US20080269202 WO2001004122A2 EP2148673A1 WO1997034878A1 US20040138209 US20040053850 US6858605 EP1021418B1 US20080317711 EP1200442A1 EP1200442B1 US20040254173 US6638928 US7053082 US6075018 US20020098179 US6765006 US20040023973 WO2009082039A1 WO2004069195A2 US6649605 US20040138210 WO2009082038A2 US5536832 WO2010057647A2 EP1284141A2 WO2008139984A1 EP1015457B1 US5639751 US20070027143 WO2009054543A1 US6562810 US20030045449 US7750024 EP1015457A1 WO2000024395A1 EP1003749B1 US5891871 WO2008124075A1 EP1186304A2 WO2009054544A1 EP1186303A2 EP0492485A1 US5519019 US6949571 US6667317 EP2222296A2 US20040152694 US20030232739 US7652006 US20040152695 US20100168174 US20040204347 US6284794 EP2254577A1 US6864251 EP1021418A1 US20030073683 US5385903 EP2255798A2 WO2009089011A2 EP0778023A1 EP0778023B1 US20040152693 EP2164489A2 EP1003749A1 US6797692 US20040162299 US7745431 EP2249806A2 US20060189622 US20100179193 US20100144868 US5521174 US20060058267 US20100130537 EP0492485B1 US20020045656 US20040097562 US20020123510 US4835152 US4614740 US20050245581 US20070032479
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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