Bioactive Compound Details
| BioID | bio44685 |
|---|---|
| Name | AFAMELANOTIDE ACETATE |
| ChEMBL ID | CHEMBL4297213 |
| Molecular Formula | C80H115N21O21 |
| Molecular Weight | 1706.93 |
| Molecular Weight (Monoisotopic) | 1645.8365 |
| Type | Protein |
| Max Phase | Phase 4 |
| Target ID | Tar10 |
| Target Name | P2X purinoceptor 7 (P2RX7) |
| Synonyms | A-MELANOTROPIN, 4(NLE)-7(D-PHE)|AFAMELANOTIDE ACETATE|AFAMELANOTIDE TRIACETATE|CUV1647 ACETATE|Scenesse |
| Smiles | CC(=O)O.CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
| Inchi | InChI=1S/C78H111N21O19.C2H4O2/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107;1-2(3)4/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84);1H3,(H,3,4)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-;/m0./s1 |
| Inchi Key | LBIUKNXYUXOWFF-CRYSLBJVSA-N |
| Molecular Species | None |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | None |
| Records Key | ['AFAMELANOTIDE ACETATE', 'AFAMELANOTIDE ACETATE'] |
| Records Name | ['AFAMELANOTIDE ACETATE', 'AFAMELANOTIDE ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 1 |
Molecular Structure
