| BioID | bio2617 |
|---|
| Name | BREMELANOTIDE |
|---|
| ChEMBL ID | CHEMBL2070241 |
|---|
| Molecular Formula | C50H68N14O10 |
|---|
| Molecular Weight | 1025.18 |
|---|
| Molecular Weight (Monoisotopic) | 1024.5243 |
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| Type | Protein |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | BREMELANOTIDA|BREMELANOTIDE|Bremelanotide|PT-141|PT-141 FREE BASE |
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| Smiles | 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/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/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)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 |
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| Inchi Key | FFHBJDQSGDNCIV-MFVUMRCOSA-N |
|---|
| Molecular Species | None |
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| Targets | 11.0 |
|---|
| Bioactivities | 43.0 |
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| Np Likeness Score | None |
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| Records Key | ['BREMELANOTIDE', '3, MT-II, PT-141', 'Bremelanotide (Acetate)', 'Bremelanotide (Acetate)', 'BREMELANOTIDE', '4684', 'BreMT', 'BREMELANOTIDE (ACETATE)', 'BREMELANOTIDE', 'Bremelanotide (Acetate)', 'BreMT', 'BreMT'] |
|---|
| Records Name | ['BREMELANOTIDE', '(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methyl)-15-((S)-2-acetamidohexanamido)-9-benzyl-6-(3-guanidinopropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid', 'Bremelanotide (Acetate)', 'Bremelanotide (Acetate)', 'BREMELANOTIDE', None, 'Bremelanotide', 'BREMELANOTIDE (ACETATE)', 'BREMELANOTIDE', 'Bremelanotide (Acetate)', 'Bremelanotide', 'Bremelanotide'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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