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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285755
CHEMBL285755
Compound Name
ChEMBL Synonyms NCG-C00093990-01
Max Phase 0
Trade Names
Molecular Formula C16H25NO

Additional synonyms for CHEMBL285755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Standard InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14 ...
Download InChI
Standard InChI Key BLYMJBIZMIGWFK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285755

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
247.4 247.1936 3.37 5 23.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.39 9.47 3.65 1.61 1 18 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL285755. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BLYMJBIZMIGWFK-UHFFFAOYSA-N
PubChem SID: 26751848 SID: 90341315
Wikipedia 7-OH-DPAT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285755



ACToR 74938-11-7
BindingDB 50020222
Brenda 147313
ChEBI 111176
eMolecules 1933655
Guide to Pharmacology 950 3296
IBM Patent System 8346E7C630FCADEF1BC8FABB897D44E9
LINCS LSM-22631
Nikkaji J228.030B
PubChem 1219
PubChem: Thomson Pharma 14847634
SureChEMBL SCHEMBL623950

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