| BioID | bio197792 |
|---|
| Name | KUTZNERIDE 2 |
|---|
| ChEMBL ID | CHEMBL507808 |
|---|
| Molecular Formula | C37H48Cl3N7O12 |
|---|
| Molecular Weight | 889.19 |
|---|
| Molecular Weight (Monoisotopic) | 887.2427 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Kutzneride 2 |
|---|
| Smiles | COC[C@@H]1NC(=O)[C@@H]2C[C@@H](Cl)CNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)c4ccc(Cl)c(Cl)c4N[C@H]3N2C(=O)[C@@H]([C@@H](O)CC(=O)O)NC1=O |
|---|
| Inchi | InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15-,18+,19+,20+,21+,25-,26+,27-,34+,37-/m1/s1 |
|---|
| Inchi Key | GOUIVYIRLLTNCF-JJMZTBTASA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | 1.15 |
|---|
| Records Key | ['2', 'kutzneride 2'] |
|---|
| Records Name | ['(3S)-3-[(1S,4R,7S,12R,14S,17S,20R,23S,31R)-7-tert-butyl-12,26,27-trichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0^{9,14}.0^{23,31}.0^{25,30}]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid', 'kutzneride 2'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
