Compound Detail
CHEMBL1381627
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Basic Information
| ChEMBL ID | CHEMBL1381627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXJLEZHDRYBRPB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
3.57
ALogP
11
HBA
2
HBD
137.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.31
EC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 6.31 | 6.31 | 492.6 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.42 | 5.42 | 3768.2 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.36 | 5.36 | 4390.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 492.62 | nM | 6.31 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3768.18 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 4390.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 11550.0 | nM | 4.94 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Data from ChEMBL 36 via Core Engine