| BioID | bio198214 |
|---|
| Name | PHAKELLISTATIN 2 |
|---|
| ChEMBL ID | CHEMBL499175 |
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| Molecular Formula | C45H61N7O8 |
|---|
| Molecular Weight | 828.02 |
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| Molecular Weight (Monoisotopic) | 827.4582 |
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| Type | Protein |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | Phakellistatin 2|Phekellistatin 2 |
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| 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 |
|---|
| Inchi | InChI=1S/C45H61N7O8/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)/t27-,28-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
|---|
| Inchi Key | LNXDZKNDLBCPBR-UZPVMMMDSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 22.0 |
|---|
| Np Likeness Score | 0.67 |
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| Records Key | ['2', '1 (Isolated)', '4', 'phakellistatin 2'] |
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| Records Name | ['phekelli statin 2', 'Phakellistatin 2', (6S,9S,11aS,17S,19aS,25S,27aS)-17-benzyl-6,9-di-sec-butyl-25-(4-hydroxybenzyl)octadecahydro-1H-tripyrrolo[1,2-a:1',2'-g:1'',2''-m][1,4,7,10,13,16,19]heptaazacyclohenicosine-5,8,11,16,19,24,27(27aH)-heptaone", 'phakellistatin 2']" |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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