Compound Detail
CHEMBL3265309
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Basic Information
| ChEMBL ID | CHEMBL3265309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLSXXJFXFWMFJW-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
4.37
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.69
Ki 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.29 | 5.29 | 5080.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.93 | 4.93 | 11870.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.83 | 4.83 | 14880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2060.0 | nM | 5.69 | Cytotoxicity against human HL60 cells assessed as intracellular ATP level after ... | 24749893 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 5080.0 | nM | 5.29 | Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origi... | 24749893 |
| MV4-11 | IC50 | = | 6040.0 | nM | 5.22 | Cytotoxicity against human MV4-11 cells assessed as intracellular ATP level afte... | 24749893 |
| K562 | IC50 | = | 11870.0 | nM | 4.93 | Cytotoxicity against human K562 cells assessed as intracellular ATP level after ... | 24749893 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 14880.0 | nM | 4.83 | 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 |
| 24749893 | 10.1021/jm500010b | HL-60 | 2 |
| 24749893 | 10.1021/jm500010b | MV4-11 | 2 |
| 24749893 | 10.1021/jm500010b | K562 | 2 |
Data from ChEMBL 36 via Core Engine