We have made a few changes to the icon set we use for the ChEMBL-og New Drug Monographs, we will also use these (or variants thereof) in some of our other web interfaces. The changes were prompted by some of the things we wished we had included from the start.
An example icon is below.
Which is a synthetic small molecule drug, is rule of five compliant, is topically dosed, is dosed as a single enantiomer, and has a boxed warning.
The various components mean
- Drug class
- this can either be
- Synthetic small molecule
- Natural product-derived small molecule
- Peptide/protein
- Protein: Monoclonal antibody
- Protein: Enzyme
- Oligonucleotide
- Oligosaccharide.
- Natural product-derived small molecule
- Synthetic small molecule
- Rule of Five
- An image of the number five.
- This is either pass or fail - we fail a molecule if it fails to pass all the individual tests (usually people use fail one parameter). We use XlogP (the same as used by PubChem) for the calculations and use 5.0 as a cutoff
- New target
- An image of a 'bullseye' target.
- This is either true or false. The target here refers to the molecular target responsible (or believed to be responsible) for it therapeutic efficacy.
- Oral delivery
- An image of a capsule.
- Parenteral delivery
- An image of a syringe.
- Topical delivery
- An image of an ointment tube.
- Some drugs are dosed in multiple forms, so this is why we haven't collapsed these down to a single state). Also this icon actually represents the absorption route (so some drug that are actually deliver orally, may in fact be sublingually absorbed.
- Chirally pure
- An image of a chiral human hand.
- The drug is dosed as a single optically active substance
- Prodrug
- An image of a par of scissors.
- The drug is essentially inactive in the dosed form and requires some chemical change in order to become pharmacologically active against it's efficacy target.
- Boxed warning
- An image of a black box.
- Either true or false.
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