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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7185
CHEMBL7185
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13NO3

Additional synonyms for CHEMBL7185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
Standard InChI InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3- ...
Download InChI
Standard InChI Key DTKDYAXITHKMGK-GMSGAONNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7185

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
195.2 195.0895 0.4 0 86.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.17 - -.6 -2.56 1 14 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL7185. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DTKDYAXITHKMGK-GMSGAONNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7185



BindingDB 50000498
Nikkaji J468.453B
PubChem 15162894

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