Bioactive Compound Details
| BioID | bio198371 |
|---|---|
| Name | DERQUANTEL |
| ChEMBL ID | CHEMBL2103805 |
| Molecular Formula | C28H37N3O4 |
| Molecular Weight | 479.62 |
| Molecular Weight (Monoisotopic) | 479.2784 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | DERCUANTEL|DERQUANTEL|PF-00520904 |
| Smiles | CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(CNc6c5ccc5c6OC=CC(C)(C)O5)C[C@@]41CN2CC[C@@]3(C)O |
| Inchi | InChI=1S/C28H37N3O4/c1-23(2)10-12-34-21-18(35-23)8-7-17-20(21)29-15-26(17)14-27-16-31-11-9-25(5,33)28(31,22(32)30(27)6)13-19(27)24(26,3)4/h7-8,10,12,19,29,33H,9,11,13-16H2,1-6H3/t19-,25+,26-,27+,28-/m0/s1 |
| Inchi Key | DYVLXWPZFQQUIU-WGNDVSEMSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.01 |
| Records Key | ['DERQUANTEL'] |
| Records Name | ['DERQUANTEL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
