Compound Detail
CHEMBL1724311
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Basic Information
| ChEMBL ID | CHEMBL1724311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFYPXVPUAPYLDT-MHWRWJLKSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.3
MW (Da)
4.04
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.63 | 5.425 | 2330.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.52 | 4.385 | 30200.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.47 | 4.47 | 33800.0 | 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 | = | 2330.0 | nM | 5.63 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit HePTP - Set 2. (Class o... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 6030.0 | nM | 5.22 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Tyrosine-protein phosphatase non-receptor type 12 | IC50 | = | 7600.0 | nM | 5.12 | PUBCHEM_BIOASSAY: SAR Selectivity Analysis of small molecule inhibitors of PEST ... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 30200.0 | nM | 4.52 | PUBCHEM_BIOASSAY: SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro d... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 33800.0 | nM | 4.47 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 56600.0 | nM | 4.25 | PUBCHEM_BIOASSAY: SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro d... | - |
Data from ChEMBL 36 via Core Engine