Bioactive Compound Details
| BioID | bio200466 |
|---|---|
| Name | PELCITOCLAX |
| ChEMBL ID | CHEMBL4802151 |
| Molecular Formula | C57H66ClF4N6O11PS4 |
| Molecular Weight | 1281.87 |
| Molecular Weight (Monoisotopic) | 1280.3035 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | APG-1252|APG1252|PELCITOCLAX |
| Smiles | Cc1c(S(C)(=O)=O)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(C(=O)OCCCP(=O)(O)O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C |
| Inchi | InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1 |
| Inchi Key | QIOCQCYXBYUYLH-YACUFSJGSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['PELCITOCLAX', '9; APG-1252'] |
| Records Name | ['PELCITOCLAX', 'Pelcitoclax'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
