Compound Detail
CHEMBL4522028
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Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCN(C(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c12
Basic Information
| ChEMBL ID | CHEMBL4522028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPWUIQNEJHXPSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1163.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 7.52 | 7.52 | 30.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 20.6 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 30.0 | nM | 7.52 | Binding affinity to His-tagged biotinylated human MCL1 by surface plasmon resona... | 31117518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117518 | 10.1021/acs.jmedchem.9b00455 | Protein cereblon/MCL1 | 40 |
| 31117518 | 10.1021/acs.jmedchem.9b00455 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 13 |
| 31117518 | 10.1021/acs.jmedchem.9b00455 | OPM-2 | 5 |
| 31117518 | 10.1021/acs.jmedchem.9b00455 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine