Compound Detail
CHEMBL1408125
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Basic Information
| ChEMBL ID | CHEMBL1408125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZAFPMAGGBPCLS-BJMVGYQFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.1
MW (Da)
3.73
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.45
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.61 | 5.61 | 2483.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.45 | 4.42 | 35158.0 | 2 |
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 | = | 2483.38 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 35158.0 | nM | 4.45 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 40486.0 | nM | 4.39 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 alpha | 2 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 beta | 2 |
Data from ChEMBL 36 via Core Engine