Compound Detail
CHEMBL1964442
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Basic Information
| ChEMBL ID | CHEMBL1964442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLQRYFLMVCLQEL-AWNIVKPZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
1.45
ALogP
5
HBA
3
HBD
95.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.02 | 6.02 | 952.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.15 | 5.15 | 7090.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.0 | 5.0 | 10016.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.47 | 4.47 | 33900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 952.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 1550.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 7090.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 10016.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 33900.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine