Compound Detail
CHEMBL3265305
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Basic Information
| ChEMBL ID | CHEMBL3265305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXCKSSLPEMHARN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.56
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Ki 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 4.9 | 4.9 | 12530.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.74 | 4.74 | 18270.0 | 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 | = | 12530.0 | nM | 4.9 | Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origi... | 24749893 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 18270.0 | nM | 4.74 | Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in E... | 24749893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24749893 | 10.1021/jm500010b | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
Data from ChEMBL 36 via Core Engine