Compound Detail
CHEMBL1910965
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Basic Information
| ChEMBL ID | CHEMBL1910965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYVJDAUIRLFBCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.1
MW (Da)
5.75
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase gamma CHEMBL4905 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase gamma | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as red... | 21882820 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reductio... | 21882820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21882820 | 10.1021/jm2003766 | Receptor-type tyrosine-protein phosphatase gamma | 1 |
| 21882820 | 10.1021/jm2003766 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21882820 | 10.1021/jm2003766 | Receptor-type tyrosine-protein phosphatase C | 1 |
Data from ChEMBL 36 via Core Engine