Compound Detail
CHEMBL1390703
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Basic Information
| ChEMBL ID | CHEMBL1390703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUOLJCHANBCQCP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.23
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.24 | 5.05 | 5730.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.1 | 5.1 | 7966.8 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 5730.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 7966.79 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 13900.0 | nM | 4.86 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 25800.0 | nM | 4.59 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
Data from ChEMBL 36 via Core Engine