Compound Detail
CHEMBL1910888
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Basic Information
| ChEMBL ID | CHEMBL1910888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLQMGJTZJKTWPI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
5.05
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase gamma CHEMBL4905 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase gamma | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as red... | 21882820 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reducti... | 21882820 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 81000.0 | nM | 4.09 | 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