Compound Detail
CHEMBL1702303
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Basic Information
| ChEMBL ID | CHEMBL1702303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFFGKJXHHKQPCF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.87
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.18 | 6.18 | 665.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.84 | 5.21 | 1430.0 | 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 | = | 665.0 | nM | 6.18 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 1430.0 | nM | 5.84 | PUBCHEM_BIOASSAY: MOA VHR1 Fluorescent secondary assay for identification of red... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 4840.0 | nM | 5.32 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies.... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 33500.0 | nM | 4.47 | PUBCHEM_BIOASSAY: SAR VHR1 absorbance Assay for In Vitro dose response studies. ... | - |
Data from ChEMBL 36 via Core Engine