Compound Detail
CHEMBL1733162
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Basic Information
| ChEMBL ID | CHEMBL1733162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USUIVANRBBDKHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
6.90
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.17 | 4.17 | 67400.0 | 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 | = | 27000.0 | nM | 4.57 | PUBCHEM_BIOASSAY: SAR analysis of chemical inhibitors of HePTP using a Fluoresce... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 67400.0 | nM | 4.17 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
Data from ChEMBL 36 via Core Engine