Compound Detail
CHEMBL2333147
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Basic Information
| ChEMBL ID | CHEMBL2333147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQVMRGYDSQFFJC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.22
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 5.8 | 5.2133 | 1580.0 | 3 |
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 | = | 1584.89 | nM | 5.8 | Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia c... | 23220642 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 1580.0 | nM | 5.8 | Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia c... | 23220642 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 90830.0 | nM | 4.04 | Binding affinity to his-tagged Mcl-1 R263A mutant (unknown origin) expressed in ... | 23220642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148591 | 10.1021/jm5006918 | Unchecked | 7 |
| 23220642 | 10.1016/j.ejmech.2012.10.050 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 3 |
| 25148591 | 10.1021/jm5006918 | Genome polyprotein | 2 |
| 25148591 | 10.1021/jm5006918 | Prothrombin | 1 |
| 25148591 | 10.1021/jm5006918 | Methionine aminopeptidase 1 | 1 |
| 25148591 | 10.1021/jm5006918 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine