Drug Information| Drug ID: | NPD636 |
| Drug Name: | Neramexane |
| Molecular Formula: | C11H23N |
| Canonical SMILES: | CC1(C)CC(C)(C)CC(C1)(C)N |
| Standard InCHI: | InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3 |
| Standard InCHIKey: | OGZQTTHDGQBLBT-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD636Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6739 | NPC181141 |
| Remote Similarity | 0.6531 | NPC472829 |
| Remote Similarity | 0.5849 | NPC475272 |
| Remote Similarity | 0.5686 | NPC133178 |
| Remote Similarity | 0.5686 | NPC106990 |
| Remote Similarity | 0.5667 | NPC53276 |
| Remote Similarity | 0.566 | NPC212905 |
| Remote Similarity | 0.5641 | NPC313882 |
| TTD | DCL000895 |
| DrugBank | DB04926 |
| ChEMBL | CHEMBL2110954 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 6433106 |
| ChEBI | |
| CAS Number | 219810-59-0 |
| Molecular Weight | 169.18 |
| ALogP | 2.3317 |
| MLogP | 2.56 |
| XLogP | 3.907 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 26.02 |
| RO5 Violation | 0 |