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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308538
CHEMBL308538
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H11FN2O

Additional synonyms for CHEMBL308538 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ncccc1OC[C@@H]2CCN2
Standard InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4 ...
Download InChI
Standard InChI Key GVOOYVOZPRROMP-ZETCQYMHSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308538

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
182.2 182.0855 0.76 3 34.15 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.94 .77 -1.65 1 13 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL308538. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GVOOYVOZPRROMP-ZETCQYMHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308538



BindingDB 50263094 50066788
FDA SRS XY1C8J4WGF
IBM Patent System 59338AAD516C6B0DD278A09760EE3A56
Nikkaji J1.007.103H
PubChem 10241442
PubChem: Thomson Pharma 15243696
SureChEMBL SCHEMBL1220341
ZINC ZINC000006525315

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