Compound Detail
CHEMBL428651
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Basic Information
| ChEMBL ID | CHEMBL428651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRIBWEDDPMECKZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
5.78
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 8.22 | 6.76 | 6.0 | 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 | = | 6.0 | nM | 8.22 | Inhibition of human PTP1B (1 to 321 residues) expressed in Escherichia coli usin... | 32871344 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 360.0 | nM | 6.44 | In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was... | 15013019 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2400.0 | nM | 5.62 | 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 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Receptor-type tyrosine-protein phosphatase C | 1 |
Data from ChEMBL 36 via Core Engine