Drug Information| Drug ID: | NPD555 |
| Drug Name: | Etilevodopa |
| Molecular Formula: | C11H15NO4 |
| Canonical SMILES: | CCOC(=O)[C@H](Cc1ccc(c(c1)O)O)N |
| Standard InCHI: | "InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1" |
| Standard InCHIKey: | NULMGOSOSZBEQL-QMMMGPOBSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD555Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6053 | NPC551007 |
| Remote Similarity | 0.6 | NPC264558 |
| Remote Similarity | 0.5455 | NPC498149 |
| Remote Similarity | 0.5227 | NPC85565 |