Compound Detail
CHEMBL1465739
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Basic Information
| ChEMBL ID | CHEMBL1465739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWDMSMJXEZXAPE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.53
ALogP
6
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.12 | 5.12 | 7653.6 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.78 | 4.78 | 16792.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.04 | 4.04 | 90143.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 1690.0 | nM | 5.77 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 7653.6 | nM | 5.12 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 16792.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 90143.0 | nM | 4.04 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine