Compound Detail
CHEMBL1727475
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Basic Information
| ChEMBL ID | CHEMBL1727475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYNIOAPYKHRKHV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
253.4
MW (Da)
2.85
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.12 | 6.12 | 766.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.77 | 4.97 | 1710.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 766.0 | nM | 6.12 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 1710.0 | nM | 5.77 | PUBCHEM_BIOASSAY: MOA VHR1 Fluorescent secondary assay for identification of red... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 18300.0 | nM | 4.74 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies.... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 40000.0 | nM | 4.4 | PUBCHEM_BIOASSAY: SAR VHR1 absorbance Assay for In Vitro dose response studies. ... | - |
Data from ChEMBL 36 via Core Engine