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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL169328
CHEMBL169328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H26N2O

Additional synonyms for CHEMBL169328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Standard InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15( ...
Download InChI
Standard InChI Key PNHPVNBKLQWBKH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL169328

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
274.4 274.2045 4.25 8 28.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.6 4.39 2.19 2 20 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL169328. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PNHPVNBKLQWBKH-UHFFFAOYSA-N
Wikipedia 5-MeO-DPT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL169328



BindingDB 50020703
eMolecules 1938826
EPA CompTox Dashboard DTXSID70219723
FDA SRS AYW60P516B
IBM Patent System 0DA3ED0F06146D020674A70B7AD59289
Nikkaji J2.225.006J
PubChem 14011047
SureChEMBL SCHEMBL8890578
ZINC ZINC000002539058

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