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chembl / GLaDOS

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https://www.ebi.ac.uk/chembl/
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Compound report card - Mechanism of action #1097

Closed mpaulam closed 5 years ago

mpaulam commented 5 years ago

The molecule CHEMBL2108576 has a mechanism of action in the database but it's not appearing in the report card:

https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2108576/

This doesn't happen with every molecule, for example this one shows the mechanism in the report card: CHEMBL1655.

The mechanism of action does appear in the Browse mechanism of action table.

agaulton commented 5 years ago

Ok, seems the problem is that the mechanism section is only being shown for approved drugs, but it should also be included for phase 0-3 drugs where it exists.

anne123 commented 5 years ago

David/Juan do you know when this can be fixed? I have also found some examples of this today. It seems quite important to me.

nclopezo commented 5 years ago

This section is shown only if metadata.hierarchy.is_approved_drug is true. For CHEMBL2108576 this is false so the section is not shown. Should we keep that rule? or should we review the way metadata.hierarchy.is_approved_drug is calculated? A recalculation of metadata.hierarchy.is_approved_drug will require a reindexation @juanfmx2

anne123 commented 5 years ago

See Anna's comment above - it should be included for everything where the mechanism is known not just Phase 4.

nclopezo commented 5 years ago

Sorry, I didn't see Anna's comment, It's fixed here https://github.com/chembl/GLaDOS/pull/1168. If It passess the tests It should be ready tomorrow in the morning. It will now be shown if metadata.hierarchy.is_approved_drug is true or max_phase <= 3

nclopezo commented 5 years ago

After talking to @anne123, it will be shown for all cases where there is data, see https://github.com/chembl/GLaDOS/pull/1169

nclopezo commented 5 years ago

This is fixed now: https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2108576/