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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286080
CHEMBL286080
Compound Name SKF-38393
ChEMBL Synonyms NCG-C00093856-01 | SK-38393 | SK&F-38393 | SKF-38393 | SK-383933 | SK&F-383933
Max Phase 0
Trade Names
Molecular Formula C16H17NO2

Additional synonyms for CHEMBL286080 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Standard InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19 ...
Download InChI
Standard InChI Key JUDKOGFHZYMDMF-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL286080

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
255.3 255.1259 2.38 1 52.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.13 9.65 2.03 -.23 2 19 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL286080. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUDKOGFHZYMDMF-UHFFFAOYSA-N
PubChem SID: 124879803 SID: 124879805 SID: 26747137 SID: 26751970 SID: 90340892

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286080



ACToR 86305-51-3 67287-49-4
BindingDB 50004923
Brenda 77163
ChEBI 110200 131801
eMolecules 31240632
Guide to Pharmacology 935
IBM Patent System FECB40643356C7D6B50C41ABA8EF53C7
LINCS LSM-21649
Nikkaji J23.614D
PubChem 1242
PubChem: Drugs of the Future 12013073
PubChem: Thomson Pharma 14847852
SureChEMBL SCHEMBL469578

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