Drug Information| Drug ID: | NPD9390 |
| Drug Name: | LA-419 |
| Molecular Formula: | C8H11NO6S |
| Canonical SMILES: | O=N(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2SC(=O)C |
| Standard InCHI: | InChI=1S/C8H11NO6S/c1-4(10)16-6-3-14-7-5(15-9(11)12)2-13-8(6)7/h5-8H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1 |
| Standard InCHIKey: | BXZDULYKEZVEEK-ULAWRXDQSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9390Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.7037 | NPC85078 |
| Remote Similarity | 0.6667 | NPC112363 |
| Remote Similarity | 0.5741 | NPC325038 |
| Remote Similarity | 0.5692 | NPC326557 |
| Remote Similarity | 0.5676 | NPC320012 |
| TTD | DIB002463 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 249.03 |
| ALogP | -0.0238 |
| MLogP | 1.46 |
| XLogP | 0.064 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 5 |
| TPSA | 115.88 |
| RO5 Violation | 0 |