Compound Detail
CHEMBL373413
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Basic Information
| ChEMBL ID | CHEMBL373413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBNUJOXGKKSAFH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.0
MW (Da)
2.43
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.75
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.75 | 4.75 | 18000.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 18000.0 | nM | 4.75 | Inhibition of PTP1B | 16806920 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 18000.0 | nM | 4.75 | Inhibition of PTP1B assessed as pNPP hydrolysis | 17336064 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of PTP1B assessed as pNPP hydrolysis | 17336064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17336064 | 10.1016/j.bmcl.2007.02.043 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 16806920 | 10.1016/j.bmcl.2006.06.051 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine