Compound Detail
CHEMBL4851522
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CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)CNc2ccc3c(c2)N(CC[C@@]2(CCCc4cc(Cl)ccc42)CO3)C[C@@H]2CC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL4851522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBDLLXGPPRBPCH-ACPCNFPYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
613.3
MW (Da)
7.01
ALogP
6
HBA
1
HBD
67.9
PSA (Ų)
0.35
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 1.0 | nM | 9.0 | Binding affinity to Mc1-1 (unknown origin) by fluorescence polarization competit... | 34153472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34153472 | 10.1016/j.bmcl.2021.128215 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 34153472 | 10.1016/j.bmcl.2021.128215 | Bcl2-associated agonist of cell death | 1 |
| 34153472 | 10.1016/j.bmcl.2021.128215 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine