Compound Detail
CHEMBL1331645
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Basic Information
| ChEMBL ID | CHEMBL1331645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXSOGZGNQOAWFM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
2.36
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.76 | 4.73 | 17200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 5400.0 | nM | 5.27 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 17200.0 | nM | 4.76 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 19800.0 | nM | 4.7 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Tyrosine-protein phosphatase non-receptor type 7 | 1 |
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Receptor-type tyrosine-protein phosphatase R | 1 |
Data from ChEMBL 36 via Core Engine