Compound Detail
CHEMBL2003806
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Basic Information
| ChEMBL ID | CHEMBL2003806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQVNQUVGIDYCOK-UQQQWYQISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.78
ALogP
6
HBA
1
HBD
105.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.51 | 5.51 | 3070.2 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.38 | 5.38 | 4192.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.73 | 4.73 | 18550.0 | 1 |
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 | = | 3070.2 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 4192.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 18550.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine