Bioactive Compound Details
| BioID | bio3097 |
|---|---|
| Name | BREMELANOTIDE ACETATE |
| ChEMBL ID | CHEMBL4297533 |
| Molecular Formula | C52H72N14O12 |
| Molecular Weight | 1085.23 |
| Molecular Weight (Monoisotopic) | 1024.5243 |
| Type | Protein |
| Max Phase | Phase 4 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BREMELANOTIDE ACETATE|PT 141|PT-141|VYLEESI|VYLEESI (AUTOINJECTOR) |
| Smiles | CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O |
| Inchi | InChI=1S/C50H68N14O10.C2H4O2/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32;1-2(3)4/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55);1H3,(H,3,4)/t35-,36-,37-,38+,39-,40-,41-;/m0./s1 |
| Inchi Key | MAYUSRUHXFWITM-GBRHMYBBSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['Bremelanotide (Acetate)', 'BREMELANOTIDE ACETATE', 'BREMELANOTIDE ACETATE'] |
| Records Name | ['Bremelanotide (Acetate)', 'BREMELANOTIDE ACETATE', 'BREMELANOTIDE ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
