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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26726
CHEMBL26726
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H12N2O2

Additional synonyms for CHEMBL26726 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1c[nH]c2c(O)cc(O)cc12
Standard InChI InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h ...
Download InChI
Standard InChI Key LXWHQTNFZDTKBH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL26726

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
192.2 192.0899 1.07 2 82.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.85 9.33 -.29 -2.36 2 14 0.57

Structural Alerts

There are no structural alerts for CHEMBL26726

Compound Cross References

ChemSpider ChemSpider:LXWHQTNFZDTKBH-UHFFFAOYSA-N
Wikipedia 5,7-Dihydroxytryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26726



ACToR 31363-74-3
Brenda 36450
EPA CompTox Dashboard DTXSID00185285
FDA SRS Y4K1D1H82S
IBM Patent System A774BAE23337B836034EE595081BC3CD
Nikkaji J278.097F
PubChem 35781
PubChem: Thomson Pharma 15462943
SureChEMBL SCHEMBL1196785
ZINC ZINC000000388557

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