Bioactive Compound Details
| BioID | bio44525 |
|---|---|
| Name | DESLORELIN ACETATE |
| ChEMBL ID | CHEMBL2357192 |
| Molecular Formula | C66H87N17O14 |
| Molecular Weight | 1342.53 |
| Molecular Weight (Monoisotopic) | 1281.6407 |
| Type | Protein |
| Max Phase | Unknown |
| Target ID | Tar17 |
| Target Name | Hormone unspecific (HOM) |
| Synonyms | DESLORELIN ACETATE|Suprelorin |
| Smiles | CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |
| Inchi | InChI=1S/C64H83N17O12.C2H4O2/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45;1-2(3)4/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69);1H3,(H,3,4)/t45-,46-,47-,48-,49+,50-,51-,52-,53-;/m0./s1 |
| Inchi Key | LYCYLGFSIXIXAB-NUZRHMIVSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['SID144206067', 'DESLORELIN ACETATE'] |
| Records Name | ['SID144206067', 'DESLORELIN ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
