Bioactive Compound Details
| BioID | bio197628 |
|---|---|
| Name | PHAKELLISTATIN 2 (SYNTHETIC) |
| ChEMBL ID | CHEMBL448882 |
| Molecular Formula | C45H62ClN7O8 |
| Molecular Weight | 864.48 |
| Molecular Weight (Monoisotopic) | 827.4582 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Phakellistatin 2 |
| Smiles | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC1=O.Cl |
| Inchi | InChI=1S/C45H61N7O8.ClH/c1-5-27(3)37-42(57)49-38(28(4)6-2)45(60)52-24-12-16-35(52)40(55)47-33(26-30-18-20-31(53)21-19-30)44(59)50-22-10-15-34(50)39(54)46-32(25-29-13-8-7-9-14-29)43(58)51-23-11-17-36(51)41(56)48-37;/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57);1H/t27-,28-,32-,33-,34-,35-,36-,37-,38-;/m0./s1 |
| Inchi Key | JYSUVLBEOGKIBV-TVLPMHNDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.67 |
| Records Key | ['1 (synthetic)', '2, synthetic'] |
| Records Name | ['Phakellistatin 2', 'phekellistatin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
