Compound Detail
CHEMBL1978364
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Basic Information
| ChEMBL ID | CHEMBL1978364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADCWLBBZUYYUKS-JYRVWZFOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
2.73
ALogP
7
HBA
0
HBD
69.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.97 | 4.97 | 10789.0 | 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 | = | 420.0 | nM | 6.38 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 10789.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine