Compound Detail
CHEMBL1612116
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Basic Information
| ChEMBL ID | CHEMBL1612116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVOCMQBKGMSPSX-ZSOIEALJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.8
MW (Da)
4.20
ALogP
7
HBA
1
HBD
110.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.64 | 5.59 | 2300.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.51 | 5.51 | 3067.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 2300.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2920.0 | nM | 5.54 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3067.56 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Data from ChEMBL 36 via Core Engine