Compound Detail
CHEMBL1530080
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Basic Information
| ChEMBL ID | CHEMBL1530080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYYLCRHWINADHX-RGVLZGJSSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.03
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.62 | 5.375 | 2390.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.58 | 5.51 | 2650.0 | 2 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.05 | 4.815 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 2390.0 | nM | 5.62 | PUBCHEM_BIOASSAY: MOA VHR1 Fluorescent secondary assay for identification of red... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 2650.0 | nM | 5.58 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 3630.0 | nM | 5.44 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 7490.0 | nM | 5.13 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 9000.0 | nM | 5.05 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 26387.0 | nM | 4.58 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
Data from ChEMBL 36 via Core Engine