Bioactive Compound Details
| BioID | bio200454 |
|---|---|
| Name | TAPOTOCLAX |
| ChEMBL ID | CHEMBL4446378 |
| Molecular Formula | C33H41ClN2O5S |
| Molecular Weight | 613.22 |
| Molecular Weight (Monoisotopic) | 612.2425 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | AMG 176|AMG-176|AMG176|MCL-1 INHIBITOR AMG 176|MCL-1 INHIBITOR AMG-176|TAPOTOCLAX |
| Smiles | CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3 |
| Inchi | InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1 |
| Inchi Key | JQNINBDKGLWYMU-GEAQBIRJSA-N |
| Molecular Species | ACID |
| Targets | 14.0 |
| Bioactivities | 61.0 |
| Np Likeness Score | 0.45 |
| Records Key | ['2; AMG 176', 'AMG176', 'TAPOTOCLAX', 'AMG176', 'TAPOTOCLAX', 'AMG-176', '1a; AMG176'] |
| Records Name | ['NA', 'NA', 'TAPOTOCLAX', None, 'TAPOTOCLAX', None, None] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
