Compound Detail
CHEMBL492894
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Basic Information
| ChEMBL ID | CHEMBL492894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRJCENKZISEXPF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
2.23
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.7 | 5.96 | 200.0 | 2 |
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 5.15 | 5.15 | 7140.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.6 | 4.445 | 25200.0 | 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 | = | 200.0 | nM | 6.7 | Inhibition of HEPTP (unknown origin) using pNPP as substrate by high-throughput ... | 37874947 |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 6050.0 | nM | 5.22 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Heat shock 70 kDa protein 1A | IC50 | = | 7140.0 | nM | 5.15 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 25200.0 | nM | 4.6 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 50800.0 | nM | 4.29 | 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 7 | 2 |
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 1 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
| 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 | Receptor-type tyrosine-protein phosphatase R | 1 |
Data from ChEMBL 36 via Core Engine