Compound Detail
CHEMBL267022
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Basic Information
| ChEMBL ID | CHEMBL267022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZLQCWJPAKCNQB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
5.12
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.7 | 5.4 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was... | 15013019 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PTP1B by fluorescein diphosphate assay | 18477508 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 16000.0 | nM | 4.8 | In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) ove... | 15013019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013019 | 10.1016/j.bmcl.2003.11.048 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 15013019 | 10.1016/j.bmcl.2003.11.048 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 15293983 | 10.1021/jm030629n | ADMET | 1 |
| 18477508 | 10.1016/j.bmcl.2008.04.064 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 18477508 | 10.1016/j.bmcl.2008.04.064 | Receptor-type tyrosine-protein phosphatase C | 1 |
Data from ChEMBL 36 via Core Engine