Compound Detail
CHEMBL3265300
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Basic Information
| ChEMBL ID | CHEMBL3265300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZODJHCTWWKMRV-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
5.45
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.77 | 6.41 | 170.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.54 | 6.54 | 290.0 | 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 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of fluorescein-labeled Bid BH3 peptide (79 to 99 residues) binding to... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 290.0 | nM | 6.54 | 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 | = | 900.0 | nM | 6.05 | 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 |
| - | 10.1039/C5MD00582E | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine