Bioactive Compound Details
| BioID | bio44523 |
|---|---|
| Name | NENDRATAREOTIDE UZATANSINE |
| ChEMBL ID | CHEMBL4650335 |
| Molecular Formula | C83H109ClN14O20S4 |
| Molecular Weight | 1786.58 |
| Molecular Weight (Monoisotopic) | 1784.6514 |
| Type | Protein |
| Max Phase | Phase 1 |
| Target ID | Tar17 |
| Target Name | Hormone unspecific (HOM) |
| Synonyms | NENDRATAREOTIDE UZATANSINE|PEN-221 |
| Smiles | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
| Inchi | InChI=1S/C83H109ClN14O20S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)96-83)45(2)71-82(5,118-71)66(38-68(102)98(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)97(6)67(101)29-31-119-120-41-59(72(87)103)92-78(109)61-43-122-121-42-60(93-73(104)54(86)33-48-19-11-10-12-20-48)77(108)90-57(34-49-25-27-52(100)28-26-49)75(106)91-58(37-51-40-88-55-22-14-13-21-53(51)55)76(107)89-56(23-15-16-30-85)74(105)95-70(47(4)99)79(110)94-61/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,88,99-100,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H2,87,103)(H,89,107)(H,90,108)(H,91,106)(H,92,109)(H,93,104)(H,94,110)(H,95,105)(H,96,112)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82+,83+/m1/s1 |
| Inchi Key | JVPMJFUBODFGNB-UFDFPQQFSA-N |
| Molecular Species | None |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | None |
| Records Key | ['NENDRATAREOTIDE UZATANSINE'] |
| Records Name | ['NENDRATAREOTIDE UZATANSINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
