Compound Detail
CHEMBL1718472
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Basic Information
| ChEMBL ID | CHEMBL1718472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGDFFSNVJPHUFQ-WOJGMQOQSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.9
MW (Da)
4.71
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.85 | 5.415 | 1400.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.03 | 5.03 | 9350.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.27 | 4.2 | 54200.0 | 2 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.18 | 4.18 | 66400.0 | 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 | = | 1400.0 | nM | 5.85 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit HePTP - Set 2. (Class o... | - |
| Tyrosine-protein phosphatase non-receptor type 12 | IC50 | = | 9350.0 | nM | 5.03 | PUBCHEM_BIOASSAY: SAR Selectivity Analysis of small molecule inhibitors of PEST ... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 54200.0 | nM | 4.27 | PUBCHEM_BIOASSAY: SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro d... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 66400.0 | nM | 4.18 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 74800.0 | nM | 4.13 | PUBCHEM_BIOASSAY: SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro d... | - |
Data from ChEMBL 36 via Core Engine