Compound Detail
CHEMBL5439922
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@]64OO5)C(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4
Basic Information
| ChEMBL ID | CHEMBL5439922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLJLKXURBBWTFW-RJHWUJBZSA-N |
4
Targets
4
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1035.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Kd 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RS4-11 CHEMBL2366159 | IC50 | 7.3 | 7.3 | 50.6 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 6.63 | 6.63 | 235.3 | 1 |
| U-266 CHEMBL2366315 | IC50 | 6.46 | 6.46 | 342.8 | 1 |
| PCNA-associated factor CHEMBL5574 | Kd | 5.21 | 5.21 | 6100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 24.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RS4-11 | IC50 | = | 50.6 | nM | 7.3 | Antiproliferative activity against human RS4-11 cells assessed as cell growth in... | 37552639 |
| RPMI-8226 | IC50 | = | 235.3 | nM | 6.63 | Antiproliferative activity against human RPMI-8226 cells assessed as cell growth... | 37552639 |
| U-266 | IC50 | = | 342.8 | nM | 6.46 | Antiproliferative activity against human U266B1 cells assessed as cell growth in... | 37552639 |
| PCNA-associated factor | Kd | = | 6100.0 | nM | 5.21 | Binding affinity to PCLAF (unknown origin) assessed as equilibrium dissociation ... | 37552639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37552639 | 10.1021/acs.jmedchem.3c00824 | Protein cereblon/PCNA-associated factor | 13 |
| 37552639 | 10.1021/acs.jmedchem.3c00824 | RS4-11 | 10 |
| 37552639 | 10.1021/acs.jmedchem.3c00824 | ADMET | 10 |
| 37552639 | 10.1021/acs.jmedchem.3c00824 | PCNA-associated factor | 2 |
| 37552639 | 10.1021/acs.jmedchem.3c00824 | RPMI-8226 | 1 |
| 37552639 | 10.1021/acs.jmedchem.3c00824 | U-266 | 1 |
Data from ChEMBL 36 via Core Engine