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Compound Report Card

ChEMBL ChEMBL Examples:  Imatinib  erbB2  brain  MDCK  c1ccccc1N Draw a Structure | Enter a Sequence Downloads Web Services UniChem ChEMBL-NTD SureChEMBL EBI RDF Platform Schema Diagram Acknowledgements Status FAQ Blog Twitter Contact Us About
ChEMBL Loading... As a result of planned maintenance that is due to end on 4th April 2020, there may be unexpected disruption caused to some of the services we host. If you experience any issues, please contact the relevant help desk directly for support. EBI > Databases > Chemical Biology > ChEMBL Database

Compound Report Card

ID: Name: Max Phase: Molecular Formula: Molecular Weight: ChEMBL Synonyms: Trade Names: Molecule Type:

Molfile:

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Canonical SMILES: Standard InChI: Standard InChI Key: Molfile:

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Canonical SMILES: Standard InChI: Standard InChI Key:

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      No records were found. However, we found the following similar results:
      No records were found.
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      Bioactivity Summary

      Assay Summary

      Target Summary

      The table below displays ChEMBL targets which are predicted to interact with . The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: [jcheminf.biomedcentral.com]


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        • Mol. Weight:
        • MW. Monoisotopic:
        • ALogP:
        • #Rotatable Bonds:
        • Polar Surface Area:
        • Molecular Species:
        • HBA:
        • HDB:
        • #Ro5 Violations:
        • HBA (Lipinski):
        • HBD (Lipinski):
        • #Ro5 Violations (Lipinski):
        • CX Acidic pKa:
        • CX Basic pKa:
        • CX LogP:
        • CX LogD pH7.4:
        • Aromatic Rings:
        • Heavy Atoms:
        • QED Weighted:





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